Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA4 | P22748 | 1/20 | 0.64 |
| ▸ | LTA4H | P09960 | 3/20 | 0.54 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.43 |
| ▸ | DRD2 | P14416 | 1/20 | 0.43 |
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | DRD3 | P35462 | 1/20 | 0.43 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.43 |
| ▸ | MAOB | P27338 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| 1,4-Dimethoxybenzene SCHEMBL27368038 | 0.88 | CA1 (0.58) | CA4LTA4HCA12CA1CA2 | |
| Anisole SCHEMBL27935346 | 0.84 | CA4 (0.61) | CA4LTA4HCA12CA1CA2 | |
| 1,3-Dimethoxybenzene SCHEMBL27963601 | 0.84 | MAOB (0.50) | CA1CA2CA7CA9MAOB | |
| Anisole SCHEMBL28273340 | 0.84 | CA4 (0.61) | CA4LTA4HCA12CA1CA2 | |
| Anisole SCHEMBL27562012 | 0.83 | CA4 (0.82) | CA4LTA4HCA12CA1CA2 | |
| Anisole SCHEMBL27648638 | 0.82 | CA4 (0.64) | CA4LTA4HCA12CA1CA2 | |
| Anisole SCHEMBL1745082 | 0.81 | CA4 (0.70) | CA4LTA4HCA12CA1CA2 | |
| Anisole SCHEMBL11151351 | 0.80 | CA4 (0.78) | CA4LTA4HCA12CA1CA2 | |
| Anisole SCHEMBL28273151 | 0.80 | CA4 (0.78) | CA4LTA4HCA12CA1CA2 | |
| Anisole SCHEMBL27484333 | 0.80 | CA4 (0.88) | CA4LTA4HCA12CA1CA2 |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109748911-A | A kind of IDO inhibitor containing triazole, preparation method and its medical usage | 中国药科大学 | 2019-05-14 | — | — | CN | disclosed |
| CN-108137591-A | Based on two pyrrolo- [1,2-b:1 ', 2 '-g] [2,6] benzodiazine -5,11- diketone polymer and compound | 巴斯夫欧洲公司 | 2018-06-08 | — | — | CN | disclosed |
| CN-102574870-B | Luminescent gold (III) compound containing bidentate ligand for organic light-emitting device and preparation method thereof | THE UNIVERSITY OF HONG KONG (CN) | 2016-05-18 | — | — | CN | disclosed |
| CN-101365446-B | Pharmaceutical compositions for the prevention and treatment of complex diseases and their delivery via implantable medical devices | RESVERLOGIX CORP | 2013-05-22 | — | — | CN | disclosed |
| CN-101939053-A | Soluble guanylate cyclase activators | MERCK SHARP & DOHME | 2011-01-05 | — | — | CN | disclosed |
| CN-101365446-A | Pharmaceutical compositions for the prevention and treatment of complex diseases and their delivery via implantable medical devices | RESVERLOGIX CORP (CA) | 2009-02-11 | — | — | CN | disclosed |
| CN-101027051-A | Methods for treating hepatitis C | PTC THERAPEUTICS INC (US) | 2007-08-29 | — | — | CN | disclosed |
| CN-1914188-A | Cationic substituted benzofurans as antimicrobial agents | UNIV NORTH CAROLINA (US) | 2007-02-14 | — | — | CN | disclosed |
| CN-1771050-A | macrocyclic inhibitors of hepatitis c serine protease | ENANTA PHARM INC (US) | 2006-05-10 | — | — | CN | disclosed |