Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | NQO1 | P15559 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | DHODH | Q02127 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.40 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.40 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL25629899 | 0.86 | CYP1A2 (0.50) | CYP1A2CYP2A6NQO1KDM4EALDH1A1 | |
| SCHEMBL15345448 | 0.84 | DHODH (0.46) | CYP1A2NQO1KDM4EALDH1A1HPGD | |
| SCHEMBL11740249 | 0.81 | ALDH1A1 (0.45) | CYP2A6NQO1KDM4EALDH1A1HPGD | |
| SCHEMBL14756186 | 0.81 | KDM4E (0.57) | CYP1A2KDM4EDHODHKMT2AMEN1 | |
| SCHEMBL15779727 | 0.81 | PPARA (0.51) | PTGS2 | |
| SCHEMBL11397853 | 0.80 | ALDH1A1 (0.58) | KDM4EALDH1A1KMT2AMEN1LMNA | |
| SCHEMBL17919919 | 0.80 | CYP1A2 (0.53) | CYP1A2CYP2A6KIF11 | |
| SCHEMBL24510994 | 0.80 | PTGS2 (0.52) | CYP1A2CYP2A6NQO1ALDH1A1HPGD | |
| SCHEMBL14756188 | 0.79 | POLB (0.59) | CYP1A2HSD17B10DHODHKMT2AMEN1 | |
| SCHEMBL9860201 | 0.79 | ALDH1A1 (0.50) | KDM4EALDH1A1HPGDHSD17B10DHODH |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180022727-A1 | THERAPEUTIC COMPOUNDS AND USES THEREOF | GENENTECH, INC. (US) | 2018-01-25 | — | — | US | disclosed |
| WO-2016112284-A1 | (PIPERIDIN-3-YL)(NAPHTHALEN-2-YL)METHANONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HISTONE DEMETHYLASE KDM2B FOR THE TREATMENT OF CANCER | GENENTECH, INC. (US) | 2016-07-14 | — | — | WO | disclosed |
| US-20140303188-A1 | Substituted Cyclopenta Pyrimidine Bicyclic Compounds Having Antitmitotic And/Or Antitumor Activity And Methods Of Use Thereof | DUQUESNE UNIVERSITY OF THE HOLY SPIRIT (US) | 2014-10-09 | — | — | US | disclosed |
| WO-2002040445-A1 | GLUCAGON ANTAGONISTS/INVERSE AGONISTS | NOVO NORDISK A/S (DK) | 2002-05-23 | — | — | 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 (2 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-20180022727-A1 | THERAPEUTIC COMPOUNDS AND USES THEREOF | KDM1B, KDM6B, KDM2B | CYP1A2 2538/4885CYP2A6 2951/4885NQO1 402/4885 |
| US-20140303188-A1 | Substituted Cyclopenta Pyrimidine Bicyclic Compounds Having Antitmitotic And/Or Antitumor Activity And Methods Of Use Thereof | ABCC1, ABCG2, ABCB1 | CYP1A2 1930/4885CYP2A6 730/4885NQO1 1473/4885 |
“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.