Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 3/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.56 |
| ▸ | FDPS | P14324 | 5/20 | 0.50 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.49 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.44 |
| ▸ | TBXAS1 | P24557 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8059121 | 0.86 | FDPS (0.47) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL8046498 | 0.84 | TBXAS1 (0.50) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL8046670 | 0.84 | KCNA5 (0.39) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL8058443 | 0.83 | TBXAS1 (0.52) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL7675394 | 0.78 | CYP1A2 (0.69) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL7383822 | 0.76 | CYP1A2 (0.65) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL8057354 | 0.74 | FDPS (0.44) | CYP1A2CYP2C19FDPSKDM4E | |
| SCHEMBL5015606 | 0.74 | FDPS (0.57) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL8058495 | 0.73 | SMN1; SMN2 (0.40) | CYP1A2CYP3A4CYP2C9CYP2C19HIF1A | |
| SCHEMBL8058563 | 0.73 | GRM2 (0.39) | HIF1A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6046180-A | NAALADase inhibitors | GUILFORD PHARMACEUTICALS INC. (US) | 2000-04-04 | — | — | US | disclosed |
| EP-0936914-A1 | HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS | GUILFORD PHARMACEUTICALS INC. (US) | 1999-08-25 | — | — | EP | disclosed |
| EP-0936914-A4 | — | — | 1999-08-25 | — | — | EP | disclosed |
| WO-1997048400-A1 | HYDROXY-PHOSPHINYL DERIVATIVES USEFUL AS NAALADASE INHIBITORS | GUILFORD PHARMACEUTICALS INC. (US) | 1997-12-24 | — | — | WO | disclosed |