Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 5/20 | 0.50 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.46 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.46 |
| ▸ | CA12 | O43570 | 4/20 | 0.43 |
| ▸ | CA3 | P07451 | 4/20 | 0.43 |
| ▸ | CA6 | P23280 | 4/20 | 0.43 |
| ▸ | CA7 | P43166 | 4/20 | 0.43 |
| ▸ | CA9 | Q16790 | 4/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 4/20 | 0.43 |
| ▸ | CA5B | Q9Y2D0 | 4/20 | 0.43 |
| ▸ | CA4 | P22748 | 3/20 | 0.43 |
| ▸ | CA5A | P35218 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL4186791 | 0.93 | CYP3A4 (0.59) | CYP3A4ALDH1A1CA2SMN1; SMN2KDM4E | |
| SCHEMBL11320167 | 0.89 | CYP3A4 (0.56) | CYP3A4ALDH1A1CA2SMN1; SMN2KDM4E | |
| SCHEMBL487508 | 0.86 | ALDH1A1 (0.61) | CYP3A4ALDH1A1CA2CYP1A2RAB9A | |
| SCHEMBL14070555 | 0.86 | CYP3A4 (0.53) | CYP3A4ALDH1A1CA2SMN1; SMN2KDM4E | |
| SCHEMBL7671543 | 0.84 | ALDH1A1 (0.63) | CYP3A4ALDH1A1CA2CYP4F2CYP4A11 | |
| SCHEMBL1323726 | 0.83 | CA2 (0.40) | CYP3A4ALDH1A1CA2CYP4F2CYP4A11 | |
| SCHEMBL7184720 | 0.83 | ALDH1A1 (0.67) | CYP3A4ALDH1A1CA2CYP4F2CYP4A11 | |
| SCHEMBL9762060 | 0.81 | GRIN2D (0.52) | CYP3A4ALDH1A1CA2SMN1; SMN2KDM4E | |
| SCHEMBL6338247 | 0.81 | CYP3A4 (0.49) | CYP3A4ALDH1A1CA2SMN1; SMN2KDM4E | |
| SCHEMBL10989390 | 0.79 | PTPN11 (0.49) | CYP3A4ALDH1A1CA2CYP4A11CA12 |
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 |
|---|---|---|---|---|---|---|---|
| US-4518609-A | ANTITUMOR, SKIN DISORDERS | SRI INTERNATIONAL (US) | 1985-05-21 | — | — | US | disclosed |
| US-4456618-A | ANTITUMOR AGENTS, TREATMENT OF SKIN DISORDERS | SRI INTERNATIONAL (US) | 1984-06-26 | — | — | US | disclosed |