Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.54 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.54 |
| ▸ | TBXAS1 | P24557 | 9/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | RECQL | P46063 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3253168 | 0.85 | NAPRT (0.74) | NAPRTCYP1A2CYP3A4CYP2C9TBXAS1 | |
| SCHEMBL30195679 | 0.84 | NAPRT (0.62) | NAPRTCYP1A2CYP3A4CYP2C9TBXAS1 | |
| SCHEMBL28975712 | 0.84 | NAPRT (0.62) | NAPRTCYP1A2CYP3A4CYP2C9TBXAS1 | |
| SCHEMBL7280697 | 0.83 | NAPRT (0.61) | NAPRTCYP1A2CYP3A4CYP2C9TBXAS1 | |
| SCHEMBL7362509 | 0.80 | NAPRT (0.72) | NAPRTCYP1A2CYP3A4CYP2C9TBXAS1 | |
| SCHEMBL1538161 | 0.80 | NAPRT (0.57) | NAPRTCYP1A2CYP3A4CYP2C9TBXAS1 | |
| SCHEMBL9433087 | 0.80 | NAPRT (0.57) | NAPRTCYP1A2CYP3A4CYP2C9TBXAS1 | |
| SCHEMBL3373232 | 0.80 | TBXAS1 (0.55) | NAPRTCYP1A2CYP3A4CYP2C9TBXAS1 | |
| SCHEMBL30120603 | 0.79 | NAPRT (0.56) | NAPRTCYP1A2CYP3A4CYP2C9TBXAS1 | |
| SCHEMBL10695581 | 0.79 | TBXAS1 (0.60) | NAPRTCYP1A2CYP3A4CYP2C9TBXAS1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1192165-A2 | SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES | Bristol-Myers Squibb Pharma Company (US) | 2002-04-03 | — | — | EP | disclosed |
| WO-2000077010-A2 | SUBSTITUTED HETEROCYCLE FUSED GAMMA-CARBOLINES | DU PONT PHARMACEUTICALS COMPANY (US) | 2000-12-21 | — | — | WO | disclosed |
| WO-1998057928-A1 | ELEVATION OF HDL CHOLESTEROL BY 2-(4-CHLORO -1-ARYL-BUTYLIDENE) -HYDRAZINECARBOTHIOAMIDES | AMERICAN HOME PRODUCTS CORPORATION (US) | 1998-12-23 | — | — | WO | disclosed |