Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | HTR7 | P34969 | 1/20 | 0.39 |
| ▸ | HRH1 | P35367 | 1/20 | 0.39 |
| ▸ | DRD3 | P35462 | 1/20 | 0.39 |
| ▸ | HTR2B | P41595 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | GLS | O94925 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL15672109 | 0.70 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19ACHECYP1B1 | |
| SCHEMBL1581709 | 0.70 | CYP1B1 (0.59) | CYP1A2CYP2C9CYP2C19ACHECYP1B1 | |
| SCHEMBL4743617 | 0.70 | CYP1A2 (0.53) | CYP1A2CYP2C9CYP2C19ACHEALDH1A1 | |
| SCHEMBL28665643 | 0.68 | KMT2A (0.45) | ALDH1A1TSHRMAPK1GAACA12 | |
| SCHEMBL6736199 | 0.67 | ADRA1D (0.52) | ACHE | |
| SCHEMBL11571330 | 0.67 | ALDH1A1 (0.51) | CYP1A2CYP2C9CYP2C19ACHEALDH1A1 | |
| SCHEMBL38819 | 0.67 | CYP2C9 (0.68) | CYP1A2CYP2C9CYP2C19ACHEALDH1A1 | |
| SCHEMBL29567211 | 0.67 | CYP2C9 (0.68) | CYP1A2CYP2C9CYP2C19ACHEALDH1A1 | |
| SCHEMBL78821 | 0.67 | CYP2C9 (0.68) | CYP1A2CYP2C9CYP2C19ACHEALDH1A1 | |
| SCHEMBL21862658 | 0.67 | CYP1A2 (0.50) | CYP1A2CYP2C9CYP2C19ACHEALDH1A1 |
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-5663173-A | CENTRAL NERVOUS SYSTEM DISORDERS, COGNITION ACTIVATORS, PYCHOSES, ANTIDEPRESSANTS AND EATING DISORDERS | SYNTHELABO (FR) | 1997-09-02 | — | — | US | disclosed |
| EP-0748807-A1 | Derivatives of N-(1,4-diazabicyclo(2.2.2)-oct-2-yl)methyl benzamide, their preparation and their therapeutical use | SYNTHELABO (FR) | 1996-12-18 | — | — | EP | disclosed |