Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 10/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7426131 | 0.83 | NPC1 (0.37) | — | |
| SCHEMBL7392446 | 0.75 | HTR2C (0.36) | — | |
| SCHEMBL9270247 | 0.73 | ALDH1A1 (0.34) | KDM4EALDH1A1 | |
| SCHEMBL7385347 | 0.72 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL7395232 | 0.72 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL9261675 | 0.71 | CASR (0.36) | — | |
| SCHEMBL7393003 | 0.70 | BRD4 (0.43) | — | |
| SCHEMBL7391162 | 0.70 | BRD4 (0.43) | — | |
| SCHEMBL7391668 | 0.70 | TSHR (0.37) | ALDH1A1 | |
| SCHEMBL7295294 | 0.70 | CYP1A2 (0.46) | ALDH1A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5589476-A | TREATMENT OF NAUSEA, VOMITING AND GASTROINTESTINAL DISORDERS | SYNTHELABO (FR) | 1996-12-31 | — | — | US | disclosed |