Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMO | O15229 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CLK4 | Q9HAZ1 | 3/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | ACVR1 | Q04771 | 2/20 | 0.40 |
| ▸ | ABL1 | P00519 | 3/20 | 0.40 |
| ▸ | BCR | P11274 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL15534449 | 0.81 | TRPV1 (0.47) | CYP1A2CYP2D6CYP2C19CYP3A4MEN1 | |
| SCHEMBL15533871 | 0.79 | TP53 (0.51) | CYP1A2CYP2D6CYP2C19CYP3A4MEN1 | |
| SCHEMBL15534259 | 0.77 | TRPV1 (0.57) | ABL1BCRFAAH | |
| SCHEMBL15533818 | 0.77 | CYP2D6 (0.50) | CYP1A2CYP2D6CYP2C19CYP3A4MAPK1 | |
| SCHEMBL19072687 | 0.76 | KMO (0.43) | KMOALOX5APFEN1IDH2 | |
| SCHEMBL15534464 | 0.76 | ABL1 (0.46) | ABL1BCRTAS2R14 | |
| SCHEMBL15534267 | 0.76 | TRPV1 (0.56) | ABL1BCRTAS2R14FAAH | |
| SCHEMBL15533815 | 0.76 | TRPV1 (0.48) | MAPK1ABL1BCRGRM5TAS2R14 | |
| SCHEMBL15534101 | 0.75 | TRPV1 (0.47) | MAPK1MEN1KMT2AABL1BCR | |
| SCHEMBL15533542 | 0.74 | GRM5 (0.49) | NPC1CLK4ACVR1ABL1CDK8 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013175415-A1 | SUBSTITUTED PYRIMIDINE COMPOUNDS AND USES THEREOF | Piramal Enterprises Limited (IN) | 2013-11-28 | — | — | WO | claimed |
| WO-2013177092-A1 | SUBSTITUTED ALKYNYL PYRIDINE COMPOUNDS AND METHODS OF USE | SUNSHINE LAKE PHARMA CO., LTD. (CN) | 2013-11-28 | — | — | WO | disclosed |
| WO-2013175415-A1 | SUBSTITUTED PYRIMIDINE COMPOUNDS AND USES THEREOF | Piramal Enterprises Limited (IN) | 2013-11-28 | — | — | WO | disclosed |