Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | PNMT | P11086 | 3/20 | 0.36 |
| ▸ | DPP4 | P27487 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | CD44 | P16070 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.30 |
| ▸ | SCN4A | P35499 | 4/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2A6 | P11509 | 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 | |
|---|---|---|---|---|
| SCHEMBL16130441 | 0.81 | CYP2A6 (0.39) | CD44CYP1A2CYP2A6 | |
| SCHEMBL23018367 | 0.74 | CD44 (0.48) | DPP4CD44SMN1; SMN2CYP1A2CYP2A6 | |
| SCHEMBL15997 | 0.70 | TAAR1 (0.48) | TAAR1PNMTDPP4HTR2ACD44 | |
| SCHEMBL43338 | 0.69 | — | — | |
| SCHEMBL10079313 | 0.69 | ALDH1A1 (0.33) | CD44CYP1A2CYP2A6 | |
| SCHEMBL19121884 | 0.69 | GABRA1 (0.39) | HTR2ASCN4ACYP1A2 | |
| SCHEMBL6405866 | 0.69 | TAAR1 (0.46) | TAAR1PNMTDPP4HTR2ACD44 | |
| Hydrochloric Acid SCHEMBL8387825 | 0.69 | TAAR1 (0.46) | TAAR1PNMTDPP4HTR2ACD44 | |
| SCHEMBL774587 | 0.69 | CD44 (0.52) | TAAR1PNMTDPP4HTR2ACD44 | |
| SCHEMBL3670971 | 0.69 | TAAR1 (0.46) | TAAR1PNMTDPP4HTR2ACD44 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3318557-A2 | QUINOLONE COMPOUND | Otsuka Pharmaceutical Co., Ltd. (JP) | 2018-05-09 | — | — | EP | disclosed |