Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | HPGD | P15428 | 3/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.34 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.34 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.34 |
| ▸ | FPR2 | P25090 | 1/20 | 0.34 |
| ▸ | MET | P08581 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14104075 | 0.90 | CYP1A2 (0.40) | CYP1A2CYP3A4CYP2C9CYP2C19HTT | |
| SCHEMBL14104172 | 0.86 | ABCG2 (0.49) | CYP1A2CYP3A4CYP2C9CYP2C19HTT | |
| SCHEMBL14103756 | 0.86 | TRPA1 (0.41) | HTTMAPTL3MBTL1METTRPA1 | |
| SCHEMBL9881243 | 0.84 | MAPT (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19HTT | |
| SCHEMBL14103883 | 0.82 | MAPT (0.44) | CYP1A2CYP3A4CYP2C9CYP2C19HTT | |
| SCHEMBL4740942 | 0.81 | PTGS1 (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19HTT | |
| SCHEMBL4740291 | 0.81 | PTGS1 (0.46) | CYP1A2CYP3A4CYP2C9CYP2C19HTT | |
| SCHEMBL14104446 | 0.79 | TRPA1 (0.41) | HTTMAPTL3MBTL1ALDH1A1KDM4E | |
| SCHEMBL14103794 | 0.78 | MAPK1 (0.40) | MAPTLMNAALDH1A1HPGDKMT2A | |
| SCHEMBL14103797 | 0.77 | HTT (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19HTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008092861-A1 | BICYCLIC DERIVATIVES AS EP4 AGONISTS | JANSSEN PHARMACEUTICA N.V. (BE) | 2008-08-07 | — | — | WO | disclosed |