Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.50 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
| ▸ | CA1 | P00915 | 1/20 | 0.47 |
| ▸ | CA2 | P00918 | 1/20 | 0.47 |
| ▸ | CA7 | P43166 | 1/20 | 0.47 |
| ▸ | CA9 | Q16790 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | LTA4H | P09960 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 3/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6676480 | 1.00 | CA4 (0.52) | CA4CYP3A4TDP1ACHEMAOB | |
| SCHEMBL29635198 | 0.94 | ACHE (0.54) | CA4CYP3A4ACHECA1CA2 | |
| SCHEMBL197286 | 0.94 | ACHE (0.54) | CA4CYP3A4ACHECA1CA2 | |
| 1,3-Dimethoxybenzene SCHEMBL28127772 | 0.92 | CA4 (0.52) | CA4CYP3A4TDP1ACHEMAOB | |
| SCHEMBL5713343 | 0.91 | ACHE (0.52) | CA4CYP3A4ACHECA1CA2 | |
| Phosphine SCHEMBL6466867 | 0.91 | ACHE (0.52) | CA4CYP3A4ACHECA1CA2 | |
| Hydrochloric Acid SCHEMBL5427158 | 0.91 | ACHE (0.52) | CA4CYP3A4ACHECA1CA2 | |
| 1,3-Dimethoxybenzene SCHEMBL28127423 | 0.90 | MAOB (0.50) | CA4CYP3A4TDP1ACHEMAOB | |
| SCHEMBL16487759 | 0.86 | ACHE (0.69) | CA4CYP3A4ACHEMAOBCA1 | |
| SCHEMBL20873235 | 0.86 | ACHE (0.47) | CA4CYP3A4ACHEMAOBCA1 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0984909-A1 | USE OF A RHODIUM CATALYST FOR HYDROAMINATION AND/OR OXIDATIVE AMINATION OF ARYL-SUBSTITUTED OLEFINS AND METHOD FOR PRODUCING A 2-ARYL VINYL AMINE | Aventis Research & Technologies GmbH & Co KG (DE) | 2000-03-15 | — | — | EP | claimed |
| WO-1998054115-A1 | USE OF A RHODIUM CATALYST FOR HYDROAMINATION AND/OR OXIDATIVE AMINATION OF ARYL-SUBSTITUTED OLEFINS AND METHOD FOR PRODUCING A 2-ARYL VINYL AMINE | AVENTIS RESEARCH & TECHNOLOGIES GMBH & (DE) | 1998-12-03 | — | — | WO | claimed |
| EP-0984909-A1 | USE OF A RHODIUM CATALYST FOR HYDROAMINATION AND/OR OXIDATIVE AMINATION OF ARYL-SUBSTITUTED OLEFINS AND METHOD FOR PRODUCING A 2-ARYL VINYL AMINE | Aventis Research & Technologies GmbH & Co KG (DE) | 2000-03-15 | — | — | EP | disclosed |
| WO-1998054115-A1 | USE OF A RHODIUM CATALYST FOR HYDROAMINATION AND/OR OXIDATIVE AMINATION OF ARYL-SUBSTITUTED OLEFINS AND METHOD FOR PRODUCING A 2-ARYL VINYL AMINE | AVENTIS RESEARCH & TECHNOLOGIES GMBH & (DE) | 1998-12-03 | — | — | WO | disclosed |
| EP-0271145-B1 | PROCESS FOR THE CARBONYLATION OF CONJUGATED DIENES | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-08-21 | — | — | EP | disclosed |
| US-4824817-A | Catalyst for the carbonylation of conjugated dienes | SHELL OIL COMPANY (US) | 1989-04-25 | — | — | US | disclosed |
| EP-0271145-A2 | Process for the carbonylation of conjugated dienes | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1988-06-15 | — | — | EP | disclosed |