Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 3/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.52 |
| ▸ | GAA | P10253 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 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 | |
|---|---|---|---|---|
| SCHEMBL7429785 | 0.87 | MAPK1 (0.50) | MEN1KMT2AALDH1A1CYP3A4HSD17B10 | |
| SCHEMBL7187251 | 0.82 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7187254 | 0.82 | CYP3A4 (0.48) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL18531996 | 0.81 | CYP3A4 (0.59) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7181467 | 0.81 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL2736207 | 0.81 | CYP3A4 (0.59) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7181461 | 0.81 | CYP3A4 (0.43) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7179894 | 0.79 | CYP3A4 (0.47) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7188928 | 0.78 | CYP3A4 (0.50) | CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL7179488 | 0.78 | CYP3A4 (0.46) | CYP3A4CYP2C9CYP2C19 |
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-1077977-A1 | RETROVIRAL PROTEASE INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 2001-02-28 | — | — | EP | disclosed |
| WO-1999059994-A1 | RETROVIRAL PROTEASE INHIBITING COMPOUNDS | ABBOTT LABORATORIES (US) | 1999-11-25 | — | — | WO | disclosed |