Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KEAP1 | Q14145 | 1/20 | 0.55 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | HPGD | P15428 | 5/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.42 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.42 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.41 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29956351 | 1.00 | KEAP1 (0.55) | KEAP1TP53TSHRMAPK1HPGD | |
| SCHEMBL13127894 | 0.87 | TP53 (0.50) | KEAP1TP53TSHRMAPK1HPGD | |
| SCHEMBL14503412 | 0.85 | TSHR (0.47) | KEAP1TP53TSHRMAPK1HPGD | |
| SCHEMBL610480 | 0.84 | TP53 (0.69) | KEAP1TP53TSHRMAPK1HPGD | |
| SCHEMBL29822323 | 0.84 | TP53 (0.69) | KEAP1TP53TSHRMAPK1HPGD | |
| SCHEMBL29956123 | 0.83 | KEAP1 (0.47) | KEAP1TP53TSHRMAPK1HPGD | |
| SCHEMBL29956764 | 0.79 | MEN1 (0.58) | KEAP1TP53TSHRHPGDMAPT | |
| SCHEMBL1789519 | 0.79 | MEN1 (0.58) | KEAP1TP53TSHRHPGDMAPT | |
| SCHEMBL14334985 | 0.77 | HPGD (0.50) | KEAP1TSHRMAPK1HPGDMAPT | |
| SCHEMBL6647138 | 0.77 | TP53 (0.55) | KEAP1TP53TSHRMAPK1HPGD |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 71 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220363709-A1 | ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF | ANTENGENE THERAPEUTICS LIMITED (CN) | 2022-11-17 | — | — | US | disclosed |
| EP-3986894-A1 | ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF | Calithera Biosciences, Inc. (US) | 2022-04-27 | — | — | EP | disclosed |
| US-20210221784-A1 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | UNIVERSITÉ DE STRASBOURG (FR) | 2021-07-22 | — | — | US | disclosed |
| WO-2020257429-A1 | ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF | CALITHERA BIOSCIENCES, INC. (US) | 2020-12-24 | — | — | WO | disclosed |
| US-20200308109-A1 | FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC (JP) | 2020-10-01 | — | — | US | disclosed |
| US-20190177271-A1 | FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC (JP) | 2019-06-13 | — | — | US | disclosed |
| US-20190177271-A1 | FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF | JAPAN TOBACCO INC (JP) | 2019-06-13 | — | — | US | disclosed |
| EP-3243814-B1 | 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS | ABBVIE INC (US) | 2018-10-17 | — | — | EP | disclosed |
| EP-3243814-A1 | 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS | AbbVie Inc. (US) | 2017-11-15 | — | — | EP | disclosed |
| EP-2134684-B1 | 7-SUBSTITUTED INDOLE AS MCL-1 INHIBITORS | ABBVIE INC (US) | 2017-08-02 | — | — | EP | disclosed |
| US-6627633-B2 | The compounds also are potent inhibitors of human cellular proliferation. As such, the compounds constitute pharmaceutical compositions with a pharmaceutically acceptable carrier. Such compounds are useful in inhibiting cellular | ALBANY MOLECULAR RESEARCH, INC. | 2003-09-30 | — | — | US | disclosed |
| US-20030125342-A1 | 6-substituted biaryl purine derivatives as potent cyclin/CDK inhibitors and antiproliferative agents | ALBANY MOLECULAR RESEARCH, INC. | 2003-07-03 | — | — | US | disclosed |
| US-20030092909-A1 | Heterocycle substituted purine derivatives as potent antiproliferative agents | ALBANY MOLECULAR RESEARCH, INC. | 2003-05-15 | — | — | US | disclosed |
| US-20030087906-A1 | NITROGEN SUBSTITUTED BIARYL PURINE DERIVATIVES AS POTENT ANTIPROLIFERATIVE AGENTS | ALBANY MOLECULAR RESEARCH, INC. | 2003-05-08 | — | — | US | disclosed |
| WO-2003022219-A2 | BIARYLAMINO PURINE ANTIPROLIFERATIVE AGENTS | ALBANY MOLECULAR RESEARCH, INC. (US) | 2003-03-20 | — | — | WO | disclosed |
| WO-2003022216-A2 | BIARYL SUBSTITUTED PURINE DERIVATIVES AS POTENT ANTIPROLIFERATIVE AGENTS | ALBANY MOLECULAR RESEARCH, INC. (US) | 2003-03-20 | — | — | WO | disclosed |
| WO-2003022805-A2 | HETEROCYCLE SUBSTITUTED PURINES AS ANTIPROLIFERATIVE AGENTS | ALBANY MOLECULAR RESEARCH, INC. (US) | 2003-03-20 | — | — | WO | disclosed |
| US-20020091263-A1 | Biaryl substituted purine derivatives as potent antiproliferative agents | ALBANY MOLECULAR RESEARCH, INC. | 2002-07-11 | — | — | US | disclosed |
| EP-1165561-A1 | 6-SUBSTITUTED BIARYL PURINE DERIVATIVES AS POTENT CYCLIN/CDK INHIBITORS AND ANTIPROLIFERATIVE AGENTS | ALBANY MOLECULAR RESEARCH, INC. (US) | 2002-01-02 | — | — | EP | disclosed |
| WO-2000055161-A1 | 6-SUBSTITUTED BIARYL PURINE DERIVATIVES AS POTENT CYCLIN/CDK INHIBITORS AND ANTIPROLIFERATIVE AGENTS | ALBANY MOLECULAR RESEARCH, INC. (US) | 2000-09-21 | — | — | WO | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (8 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20210221784-A1 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF PAIN | ACHE, TRPV1, OPRL1 | KEAP1 683/4885TP53 4089/4885TSHR 4694/4885 |
| US-20220363709-A1 | ECTONUCLEOTIDASE INHIBITORS AND METHODS OF USE THEREOF | NT5E, ENTPD5, NT5C2 | KEAP1 1087/4885TP53 2516/4885TSHR 2756/4885 |
| US-20030092909-A1 | Heterocycle substituted purine derivatives as potent antiproliferative agents | CCNA1, CDK1, CCNI | KEAP1 2625/4885TP53 188/4885TSHR 2295/4885 |
| US-20020091263-A1 | Biaryl substituted purine derivatives as potent antiproliferative agents | CCNA1, CCNA2, CDK2 | KEAP1 2415/4885TP53 272/4885TSHR 2488/4885 |
| US-20190177271-A1 | FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF | FH, PCK2, PC | KEAP1 799/4885TP53 447/4885TSHR 4016/4885 |
| US-20200308109-A1 | FLUORENE COMPOUND AND PHARMACEUTICAL USE THEREOF | FH, PCK2, PC | KEAP1 799/4885TP53 447/4885TSHR 4016/4885 |
| US-20030125342-A1 | 6-substituted biaryl purine derivatives as potent cyclin/CDK inhibitors and antiproliferative agents | CCNI, CDK6, CDK2 | KEAP1 3072/4885TP53 293/4885TSHR 3261/4885 |
| US-20030087906-A1 | NITROGEN SUBSTITUTED BIARYL PURINE DERIVATIVES AS POTENT ANTIPROLIFERATIVE AGENTS | CCNY, CCNA1, CCNI | KEAP1 2661/4885TP53 241/4885TSHR 2622/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.