Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FDPS | P14324 | 7/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.49 |
| ▸ | BTN3A1 | O00481 | 1/20 | 0.48 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.48 |
| ▸ | KCNA5 | P22460 | 2/20 | 0.43 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.40 |
| ▸ | GPR132 | Q9UNW8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8046493 | 0.90 | FDPS (0.55) | FDPSCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8059117 | 0.85 | FDPS (0.58) | FDPSCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8059146 | 0.77 | CETP (0.36) | — | |
| SCHEMBL8058437 | 0.72 | TBXAS1 (0.49) | FDPSCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7675394 | 0.72 | CYP1A2 (0.69) | FDPSCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL6427877 | 0.71 | CYP1A2 (0.55) | FDPSCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8058487 | 0.70 | FDPS (0.46) | FDPSCYP3A4KCNA5ALDH1A1LMNA | |
| SCHEMBL4893738 | 0.70 | FDPS (1.00) | FDPSCYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8061472 | 0.70 | KDM4E (0.43) | CYP1A2CYP2C19HIF1AALDH1A1LMNA | |
| SCHEMBL7861665 | 0.69 | FDPS (0.59) | FDPSCYP1A2CYP3A4CYP2C9CYP2C19 |
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 |