Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 2/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | AKR1B10 | O60218 | 4/20 | 0.35 |
| ▸ | AKR1B1 | P15121 | 4/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | MAOB | P27338 | 3/20 | 0.32 |
| ▸ | MAOA | P21397 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.30 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.30 |
| ▸ | ALOX12 | P18054 | 2/20 | 0.30 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.30 |
| ▸ | ADRB2 | P07550 | 2/20 | 0.30 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8671097 | 0.80 | HRH3 (0.39) | DRD2DRD4OPRM1DRD3 | |
| SCHEMBL3898280 | 0.77 | CA1 (0.44) | AKR1B10AKR1B1CA1CA2CA9 | |
| SCHEMBL4523532 | 0.75 | CA1 (0.43) | AKR1B10AKR1B1CA1CA2CA9 | |
| SCHEMBL8673807 | 0.74 | MEN1 (0.42) | AKR1B10AKR1B1CA1CA2CA9 | |
| SCHEMBL29240600 | 0.69 | CA1 (0.47) | AKR1B10AKR1B1CA1CA2CA9 | |
| SCHEMBL2013081 | 0.69 | FAAH (0.42) | TDP1MEN1KMT2A | |
| SCHEMBL4514440 | 0.69 | ADRB2 (0.41) | DRD2AKR1B10AKR1B1CA1CA2 | |
| SCHEMBL198134 | 0.69 | TSHR (0.52) | CA1CA2CA9MAOBMAOA | |
| SCHEMBL2322253 | 0.68 | CA1 (0.46) | AKR1B10AKR1B1CA1CA2CA9 | |
| SCHEMBL3438749 | 0.67 | MEN1 (0.50) | DRD2DRD4DRD3MEN1LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5763465-A | 7-(2-aminoethyl) benzothiazolones | ASTRA PHARMACEUTICALS LIMITED (GB) | 1998-06-09 | — | — | US | disclosed |
| US-5648370-A | 7-(2-aminoethyl) benzothiazolones | ASTRA PHARMACEUTICALS LIMITED (GB) | 1997-07-15 | — | — | US | disclosed |
| WO-1993023385-A1 | BIOLOGICALLY ACTIVE AMINES | FISONS PLC (GB) | 1993-11-25 | — | — | WO | disclosed |