Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9009487 | 0.73 | ALDH1A1 (0.47) | ALDH1A1TSHRPOLBNPSR1HSD17B10 | |
| SCHEMBL292379 | 0.73 | RAPGEF4 (0.32) | LMNACYP1A2MAPK1 | |
| SCHEMBL13550083 | 0.73 | NQO2 (0.38) | ALDH1A1TSHRPOLBNPSR1HSD17B10 | |
| SCHEMBL156826 | 0.73 | RAPGEF4 (0.45) | ALDH1A1TSHRPOLBNPSR1HSD17B10 | |
| SCHEMBL1109753 | 0.71 | RAPGEF4 (0.43) | ALDH1A1TSHRPOLBNPSR1HSD17B10 | |
| SCHEMBL1859095 | 0.69 | SRC (0.45) | ALDH1A1TSHRPOLBNPSR1HSD17B10 | |
| SCHEMBL27841248 | 0.69 | ALDH1A1 (0.33) | ALDH1A1TSHRPOLBNPSR1HSD17B10 | |
| SCHEMBL5009363 | 0.69 | — | — | |
| SCHEMBL525424 | 0.69 | ALDH1A1 (0.47) | ALDH1A1TSHRPOLBNPSR1HSD17B10 | |
| SCHEMBL17922582 | 0.69 | ALDH1A1 (0.32) | ALDH1A1TSHRPOLBNPSR1HSD17B10 |
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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10793530-B2 | Benzylaminopyrazinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2020-10-06 | — | — | US | disclosed |
| CN-107176944-B | Thiophene carboxylic acid compound or derivative thereof, pharmaceutical composition, preparation method and application thereof | 中国科学院上海药物研究所 | 2020-05-01 | — | — | CN | disclosed |
| US-9617251-B2 | Indanylaminopyridylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-04-11 | — | — | US | disclosed |
| US-20170037040-A1 | INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2017-02-09 | — | — | US | disclosed |
| US-7414063-B2 | Inhibitors of Akt (protein kinase B) | ELI LILLY AND COMPANY (US) | 2008-08-19 | — | — | US | disclosed |
| US-20070043040-A1 | Inhibitors of akt (protein kinase b) | ELI LILLY AND COMPANY | 2007-02-22 | — | — | US | disclosed |
| WO-2006002022-A2 | COMPOSITIONS AND METHODS USEFUL FOR THE TREATMENT OF HYPERGLYCEMIA | IMMUSOL INCORPORATED (US) | 2006-01-05 | — | — | WO | disclosed |
| US-20040110228-A1 | Combinatorial organic synthesis of unique biologically active compounds | MCALPINE SHELLI R (US) | 2004-06-10 | — | — | US | disclosed |
| US-20040102629-A1 | Thioquinazolinone derivatives and combinatorial libraries thereof | LION BIOSCIENCE, AG. (DE) | 2004-05-27 | — | — | US | disclosed |
| US-6677452-B1 | PREPARED BY REACTING AMINE WITH PYRIDINE SUBSTITUTED WITH HALOGEN AT POSITION 6 AND WITH CARBOXY OR SULFONYL GROUP AT ANOTHER POSITION TO FORM AMIDE OR SULFONAMIDE, DISPLACING HALOGEN WITH DESIRED DIAMINE | LION BIOSCIENCE AG (DE) | 2004-01-13 | — | — | US | disclosed |
| US-6143895-A | TETRAHYDROQUINOLINONE COMPOUND | TREGA BIOSCIENCES, INC. (US) | 2000-11-07 | — | — | US | disclosed |
| EP-0983507-A1 | TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES | Trega Biosciences, Inc. (US) | 2000-03-08 | — | — | EP | disclosed |
| EP-0977989-A1 | 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 2000-02-09 | — | — | EP | disclosed |
| US-5925527-A | SCREENING NEW PHARMACEUTICALS | TREGA BIOSCIENCES, INC. (US) | 1999-07-20 | — | — | US | disclosed |
| EP-0923734-A1 | QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES | Trega Biosciences, Inc. (US) | 1999-06-23 | — | — | EP | disclosed |
| US-5840500-A | OPIOD RECEPTORS AS ANALGESICS AND CENTRALLY ACTING PAIN KILLERS | TREGA BIOSCIENCES, INC. (US) | 1998-11-24 | — | — | US | disclosed |
| WO-1998034111-A1 | TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 1998-08-06 | — | — | WO | disclosed |
| WO-1998034115-A1 | 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 1998-08-06 | — | — | WO | disclosed |
| WO-1998002741-A9 | QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES | — | 1998-05-22 | — | — | WO | disclosed |
| WO-1998002741-A1 | QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES | TREGA BIOSCIENCES, INC. (US) | 1998-01-22 | — | — | 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 (5 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-20040110228-A1 | Combinatorial organic synthesis of unique biologically active compounds | PCNA, TOP1, TOP2A | ALDH1A1 4181/4885TSHR 3925/4885POLB 463/4885 |
| US-20070043040-A1 | Inhibitors of akt (protein kinase b) | AKT1, AKT2, BRAF | ALDH1A1 4411/4885TSHR 3839/4885POLB 525/4885 |
| US-10793530-B2 | Benzylaminopyrazinylcyclopropanecarboxylic acids, pharmaceutical compositions and uses thereof | GPR119, GPR65, GPR52 | ALDH1A1 1870/4885TSHR 647/4885POLB 4559/4885 |
| US-20040102629-A1 | Thioquinazolinone derivatives and combinatorial libraries thereof | TTI1, RPS4Y1, TSNAX | ALDH1A1 673/4885TSHR 1083/4885POLB 3911/4885 |
| US-20170037040-A1 | INDANYLAMINOPYRIDYLCYCLOPROPANECARBOXYLIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | GPR119, GPR55, GPR65 | ALDH1A1 1240/4885TSHR 636/4885POLB 4737/4885 |
“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.