Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.68 |
| ▸ | PKN1 | Q16512 | 4/20 | 0.68 |
| ▸ | PKN2 | Q16513 | 4/20 | 0.68 |
| ▸ | HPGD | P15428 | 3/20 | 0.57 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.57 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.57 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.57 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.57 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.57 |
| ▸ | RHEB | Q15382 | 1/20 | 0.57 |
| ▸ | NPC1 | O15118 | 4/20 | 0.56 |
| ▸ | RAB9A | P51151 | 3/20 | 0.56 |
| ▸ | PKM | P14618 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | LDHA | P00338 | 1/20 | 0.53 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.53 |
| ▸ | AURKA | O14965 | 1/20 | 0.51 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL7127398 | 0.89 | NPC1 (0.65) | ALDH1A1KDM4EPKN1PKN2HPGD | |
| SCHEMBL7271262 | 0.86 | ALDH1A1 (0.54) | ALDH1A1KDM4EPKN1PKN2HPGD | |
| SCHEMBL9634802 | 0.86 | KDM4E (0.54) | ALDH1A1KDM4EPKN1PKN2HPGD | |
| SCHEMBL7278387 | 0.86 | ALDH1A1 (0.77) | ALDH1A1KDM4EPKN1PKN2HPGD | |
| SCHEMBL23132042 | 0.86 | ALDH1A1 (0.54) | ALDH1A1KDM4EPKN1PKN2HPGD | |
| SCHEMBL23753448 | 0.86 | KDM4E (0.54) | ALDH1A1KDM4EPKN1PKN2HPGD | |
| SCHEMBL6258260 | 0.86 | ALDH1A1 (0.63) | ALDH1A1KDM4EPKN1PKN2HPGD | |
| SCHEMBL10852378 | 0.86 | NPC1 (0.61) | ALDH1A1KDM4EPKN1PKN2HPGD | |
| Hydrochloric Acid SCHEMBL7271935 | 0.84 | ALDH1A1 (0.74) | ALDH1A1KDM4EPKN1PKN2HPGD | |
| Hydrochloric Acid SCHEMBL7280780 | 0.84 | NPC1 (0.56) | ALDH1A1KDM4EPKN1PKN2HPGD |
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-4336257-A | XANTHINE OXIDASE INHIBITORS OR ANTIHYPERTENSIVE AGENTS | MERCK & CO., INC. (US) | 1982-06-22 | — | — | US | claimed |