Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 5/20 | 0.36 |
| ▸ | ALPL | P05186 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | F10 | P00742 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL5042176 | 0.81 | ALDH1A1 (0.39) | ALDH1A1CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL10067969 | 0.80 | HRH4 (0.35) | GRIN2BALDH1A1CYP2C9CYP2C19HPGD | |
| SCHEMBL14286149 | 0.78 | MAPK1 (0.41) | MAPK1MAPK10ALPLALDH1A1HPGD | |
| SCHEMBL14286161 | 0.71 | ALDH1A1 (0.36) | ALDH1A1CYP2C9CYP2C19CYP3A4CYP2D6 | |
| SCHEMBL14600770 | 0.68 | HRH4 (0.36) | ALDH1A1HPGDF2F10LMNA | |
| SCHEMBL5038382 | 0.63 | MAPK1 (0.49) | MAPK1MAPK10GRIN2BALPLALDH1A1 | |
| SCHEMBL14286171 | 0.63 | MAPK1 (0.52) | MAPK1MAPK10GRIN2BALPLALDH1A1 | |
| SCHEMBL986040 | 0.63 | KCNN4 (0.40) | MAPK1ALDH1A1HPGDKMT2AMEN1 | |
| SCHEMBL14286136 | 0.63 | MAPK1 (0.44) | MAPK1MAPK10GRIN2BALDH1A1HPGD | |
| SCHEMBL14286148 | 0.63 | MAPK1 (0.42) | MAPK1MAPK10ALDH1A1HPGDKMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7314885-B2 | Pyrrole compounds useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-01-01 | — | — | US | disclosed |
| US-7314885-B2 | Pyrrole compounds useful as kinase inhibitors | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2008-01-01 | — | — | US | disclosed |