Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 2/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | GPR119 | Q8TDV5 | 5/20 | 0.38 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.37 |
| ▸ | SMARCA2 | P51531 | 1/20 | 0.37 |
| ▸ | SMARCA4 | P51532 | 1/20 | 0.37 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.37 |
| ▸ | CXCR2 | P25025 | 1/20 | 0.37 |
| ▸ | CKS1B | P61024 | 1/20 | 0.37 |
| ▸ | SKP1 | P63208 | 1/20 | 0.37 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7167711 | 0.79 | GPR119 (0.42) | CYP1A2CYP2C9CYP2C19TP53THRB | |
| SCHEMBL4553177 | 0.77 | GPR119 (0.49) | GBA1MAPTALDH1A1LMNAGPR119 | |
| SCHEMBL26112771 | 0.76 | ALDH1A1 (0.47) | CYP1A2CYP2C9CYP2C19TP53THRB | |
| SCHEMBL15797317 | 0.76 | TP53 (0.49) | CYP1A2CYP2C9CYP2C19TP53THRB | |
| SCHEMBL5371004 | 0.75 | CYP1A2 (0.52) | CYP1A2CYP2C9CYP2C19TP53THRB | |
| SCHEMBL31602635 | 0.73 | STS (0.51) | GPR119 | |
| SCHEMBL12957576 | 0.73 | TP53 (0.51) | CYP1A2CYP2C9CYP2C19TP53THRB | |
| SCHEMBL16111449 | 0.73 | TP53 (0.61) | CYP1A2CYP2C9CYP2C19TP53THRB | |
| SCHEMBL30062550 | 0.73 | GPR119 (0.52) | TP53THRBBACE1MAPTALDH1A1 | |
| SCHEMBL1928396 | 0.73 | GPR119 (0.52) | TP53THRBBACE1MAPTALDH1A1 |
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-1362039-A1 | HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS | Aventis Pharmaceuticals, Inc. (US) | 2003-11-19 | — | — | EP | disclosed |
| WO-2002066446-A1 | HETEROCYCLIC SUBSTITUTED CARBONYL DERIVATIVES AND THEIR USE AS DOPAMINE D3 RECEPTOR LIGANDS | AVENTIS PHARMACEUTICALS INC. (US) | 2002-08-29 | — | — | WO | disclosed |