Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NISCH | Q9Y2I1 | 2/20 | 0.49 |
| ▸ | MTOR | P42345 | 1/20 | 0.47 |
| ▸ | ADK | P55263 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | VCP | P55072 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.40 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.40 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.38 |
| ▸ | KIT | P10721 | 1/20 | 0.37 |
| ▸ | BRD4 | O60885 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1288737 | 0.84 | NISCH (0.53) | NISCHMTORADKALDH1A1KDM4E | |
| SCHEMBL8137182 | 0.84 | NISCH (0.53) | NISCHMTORADKALDH1A1KDM4E | |
| SCHEMBL28829248 | 0.79 | NISCH (0.49) | NISCHMTORADKALDH1A1KDM4E | |
| SCHEMBL8536727 | 0.79 | ALDH1A1 (0.52) | NISCHMTORADKALDH1A1KDM4E | |
| SCHEMBL1838153 | 0.79 | NISCH (0.58) | NISCHMTORADKALDH1A1KDM4E | |
| Hydrochloric Acid SCHEMBL27817951 | 0.78 | NISCH (0.56) | NISCHMTORADKALDH1A1KDM4E | |
| SCHEMBL3949651 | 0.78 | KDM5B (0.42) | ALDH1A1KDM4ECYP1A2CYP3A4CYP2D6 | |
| SCHEMBL1688702 | 0.76 | NISCH (0.58) | NISCHMTORADKALDH1A1KDM4E | |
| SCHEMBL3649556 | 0.76 | NISCH (0.58) | NISCHMTORADKALDH1A1KDM4E | |
| SCHEMBL27586669 | 0.76 | NISCH (0.49) | NISCHMTORADKALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-1307431-A2 | EFFICIENT LIGAND-MEDIATED ULLMANN COUPLING OF ANILINES AND AZOLES | Bristol-Myers Squibb Pharma Company (US) | 2003-05-07 | — | — | EP | disclosed |
| WO-2002008199-A2 | EFFICIENT LIGAND-MEDIATED ULLMANN COUPLING OF ANILINES AND AZOLES | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2002-01-31 | — | — | WO | disclosed |