Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | USP2 | O75604 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19393440 | 0.94 | ALDH1A1 (0.38) | ALDH1A1TAAR1MAPTKDM4EHPGD | |
| SCHEMBL17368989 | 0.94 | ALDH1A1 (0.38) | ALDH1A1TAAR1MAPTKDM4EHPGD | |
| SCHEMBL2887338 | 0.92 | ALDH1A1 (0.39) | ALDH1A1TAAR1MAPTKDM4EHPGD | |
| SCHEMBL17734751 | 0.91 | MAPT (0.33) | TNKS2ALDH1A1TAAR1PDE10ANPC1 | |
| SCHEMBL17734770 | 0.91 | MAPT (0.33) | TNKS2ALDH1A1TAAR1PDE10ANPC1 | |
| SCHEMBL13929897 | 0.90 | CYP3A4 (0.40) | ALDH1A1TAAR1MAPTKDM4ECYP1A2 | |
| SCHEMBL15306327 | 0.90 | ALDH1A1 (0.38) | ALDH1A1TAAR1MAPTKDM4EHPGD | |
| SCHEMBL73930 | 0.90 | CYP3A4 (0.40) | ALDH1A1TAAR1MAPTKDM4ECYP1A2 | |
| SCHEMBL312725 | 0.89 | CYP3A4 (0.36) | ALDH1A1NPC1RAB9AMAPTKDM4E | |
| SCHEMBL16324036 | 0.89 | CYP3A4 (0.43) | ALDH1A1TAAR1MAPTKDM4ECYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1496044-B1 | NOVEL 1,3,5-TRIS(ARYLAMINO)BENZENE | BANDO CHEMICAL IND (JP) | 2010-11-03 | — | — | EP | disclosed |