Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.39 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.39 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.37 |
| ▸ | ALPL | P05186 | 1/20 | 0.37 |
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2452946 | 0.81 | MCL1 (0.46) | ALDH1A1KDM4EENPP3ENPP1ALPL | |
| SCHEMBL6987826 | 0.79 | KDM4E (0.37) | CYP2A6ALDH1A1CYP1A2KDM4EALPL | |
| SCHEMBL7722881 | 0.79 | ESR1 (0.43) | ALDH1A1CYP1A2KDM4EALPLGAA | |
| SCHEMBL5682758 | 0.79 | CYP1A2 (0.39) | CYP2A6ALDH1A1CYP1A2KDM4EALPL | |
| SCHEMBL9600464 | 0.79 | ALDH1A1 (0.37) | CYP2A6ALDH1A1KDM4EENPP3ENPP1 | |
| SCHEMBL7067601 | 0.79 | CYP1A2 (0.42) | CYP2A6ALDH1A1CYP1A2KDM4EHPGD | |
| SCHEMBL3912578 | 0.78 | NPC1 (0.35) | MAOBALDH1A1CYP1A2KDM4EHPGD | |
| SCHEMBL28608506 | 0.78 | CA12 (0.43) | ALDH1A1KDM4EENPP3ENPP1ALPL | |
| SCHEMBL6537034 | 0.77 | ALDH1A1 (0.40) | CYP2A6ALDH1A1CYP1A2KDM4EENPP3 | |
| SCHEMBL8590627 | 0.77 | CYP1A2 (0.49) | MAOAMAOBCYP2A6ALDH1A1CYP1A2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0361341-A2 | Therapeutics for aids based on inhibitors of HIV protease | MILES INC. (US) | 1990-04-04 | — | — | EP | claimed |
| EP-0007834-B1 | PROCESS FOR THE PREPARATION OF OPTICALLY ACTIVE ALPHA-AMINO ACIDS AND THEIR DERIVATIVES | ANVAR Agence Nationale de Valorisation de la Recherche (FR) | 1983-05-11 | — | — | EP | claimed |
| EP-2722908-A1 | Phosphorescent OLED and hole transporting materials for phosphorescent OLEDs | Novaled AG (DE) | 2014-04-23 | — | — | EP | disclosed |
| EP-1437229-A2 | Ink jet printing sheet | FUJI PHOTO FILM CO., LTD. (JP) | 2004-07-14 | — | — | EP | disclosed |
| EP-0361341-A2 | Therapeutics for aids based on inhibitors of HIV protease | MILES INC. (US) | 1990-04-04 | — | — | EP | disclosed |
| US-4892887-A | ANTITUMOR | YALE UNIVERSITY (US) | 1990-01-09 | — | — | US | disclosed |
| US-4684747-A | ANTITUMOR, ALKYLATING AGENTS | YALE UNIVERSITY (US) | 1987-08-04 | — | — | US | disclosed |
| US-4524168-A | AZO DYES | CIBA-GEIGY CORPORATION (US) | 1985-06-18 | — | — | US | disclosed |