Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TACR1 | P25103 | 5/20 | 0.53 |
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.47 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.47 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.47 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.46 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | CTSS | P25774 | 1/20 | 0.44 |
| ▸ | USP2 | O75604 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | HPN | P05981 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3282110 | 0.89 | TAAR1 (0.52) | TACR1TAAR1SLC6A2SLC6A4SLC6A3 | |
| Aspartic Acid SCHEMBL11631107 | 0.85 | SLC7A5 (0.45) | CTSLCTSBCTSS | |
| SCHEMBL3282306 | 0.83 | PNMT (0.56) | TACR1TAAR1SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL3451169 | 0.80 | EPHX1 (0.61) | TAAR1SLC6A2SLC6A4SLC6A3MAOA | |
| SCHEMBL272604 | 0.80 | EPHX1 (0.61) | TAAR1SLC6A2SLC6A4SLC6A3MAOA | |
| SCHEMBL468022 | 0.80 | EPHX1 (0.61) | TAAR1SLC6A2SLC6A4SLC6A3MAOA | |
| SCHEMBL4987208 | 0.80 | TACR1 (0.77) | TACR1IDO1 | |
| SCHEMBL3283174 | 0.80 | ACHE (0.48) | TAAR1IDO1OPRM1 | |
| SCHEMBL23655308 | 0.80 | AGXT (0.50) | TAAR1SLC6A2SLC6A4SLC6A3MAOA | |
| SCHEMBL17196630 | 0.80 | MAOA (0.55) | TACR1TAAR1SLC6A2SLC6A4SLC6A3 |
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-1144384-B1 | COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARM INC (US) | 2007-10-31 | — | — | EP | claimed |
| EP-0220435-A1 | A method for preparing optically active half esters | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1987-05-06 | — | — | EP | disclosed |
| EP-0092194-A1 | Method of obtaining optically active half esters | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1983-10-26 | — | — | EP | disclosed |
| US-4246424-A | IN PRESENCE OF ALKALI METAL AND POLYCYCLIC AROMATIC HYDROCARBON | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1981-01-20 | — | — | US | disclosed |
| US-4162316-A | ANALGESICS | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 1979-07-24 | — | — | US | disclosed |
| US-4158016-A | CONTACTING WITH AN ALKALI METAL POLYCYCLIC AROMATIC HYDROCARBON CATALYST | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1979-06-12 | — | — | US | disclosed |
| US-4080453-A | ANALGESICS, ANTITUSSIVE | DAINIPPON PHARMACEUTICAL CO., LTD. (JA) | 1978-03-21 | — | — | US | disclosed |