Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 5/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | OXTR | P30559 | 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 | |
|---|---|---|---|---|
| SCHEMBL8059152 | 0.96 | HPGD (0.41) | HPGDCYP3A4CYP2D6CYP2C9PKM | |
| SCHEMBL8059141 | 0.92 | HPGD (0.43) | HPGDCYP3A4CYP2D6CYP2C9PKM | |
| SCHEMBL8058503 | 0.85 | HPGD (0.46) | HPGDCYP3A4CYP2D6CYP2C9PKM | |
| SCHEMBL8058591 | 0.75 | EPHX2 (0.42) | HPGDHTTSMN1; SMN2MEN1KMT2A | |
| SCHEMBL7639980 | 0.73 | GAA (0.41) | CYP3A4CYP2C19ALDH1A1 | |
| SCHEMBL7644315 | 0.72 | GRM2 (0.44) | SMN1; SMN2 | |
| SCHEMBL7633968 | 0.71 | KIF11 (0.43) | CYP2D6CYP2C19HTTKMT2ALMNA | |
| SCHEMBL8058463 | 0.70 | HPGD (0.43) | HPGDCYP3A4CYP2D6CYP2C9PKM | |
| SCHEMBL28528763 | 0.69 | HPGD (0.50) | HPGDCYP3A4CYP2D6CYP2C9PKM | |
| SCHEMBL28512364 | 0.65 | CHRM2 (0.47) | HPGDCYP3A4CYP2D6CYP2C9PKM |
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 |