Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.72 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.72 |
| ▸ | HPGD | P15428 | 2/20 | 0.72 |
| ▸ | SRD5A1 | P18405 | 5/20 | 0.66 |
| ▸ | CA9 | Q16790 | 6/20 | 0.52 |
| ▸ | CA12 | O43570 | 3/20 | 0.52 |
| ▸ | CA1 | P00915 | 3/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | XPO1 | O14980 | 1/20 | 0.51 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.51 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.51 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.51 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.51 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.45 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11271517 | 0.87 | ALDH1A1 (0.59) | ALDH1A1KDM4EHPGDSRD5A1CA9 | |
| SCHEMBL29074526 | 0.79 | SRD5A1 (1.00) | ALDH1A1KDM4EHPGDSRD5A1CA9 | |
| SCHEMBL11374555 | 0.79 | KDM4E (0.64) | ALDH1A1KDM4EHPGDSRD5A1CA9 | |
| SCHEMBL29051466 | 0.78 | CA9 (0.71) | ALDH1A1KDM4EHPGDSRD5A1CA9 | |
| SCHEMBL20226258 | 0.75 | HPGD (0.44) | ALDH1A1KDM4EHPGDSRD5A1CA9 | |
| SCHEMBL15814907 | 0.71 | CYP3A4 (0.41) | ALDH1A1KDM4EHPGDCA9CA12 | |
| SCHEMBL27592055 | 0.69 | HPGD (0.47) | ALDH1A1KDM4EHPGDCA9CA12 | |
| 7-Allyloxycoumarin SCHEMBL4765530 | 0.69 | CA12 (1.00) | ALDH1A1KDM4EHPGDSRD5A1CA9 | |
| SCHEMBL11323167 | 0.69 | SRD5A1 (0.69) | ALDH1A1KDM4EHPGDSRD5A1CA9 | |
| SCHEMBL3284020 | 0.68 | XPO1 (0.66) | ALDH1A1KDM4EHPGDSRD5A1CYP3A4 |
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-4328239-A | 8-Aminoalkylpsoralens | ELDER PHARMACEUTICALS, INC. (US) | 1982-05-04 | — | — | US | disclosed |