Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.71 |
| ▸ | PNMT | P11086 | 2/20 | 0.61 |
| ▸ | IDO1 | P14902 | 2/20 | 0.48 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.39 |
| ▸ | MPO | P05164 | 1/20 | 0.39 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL1832372 | 0.98 | TAAR1 (0.74) | TAAR1PNMTIDO1CYP1A2CYP2D6 | |
| SCHEMBL10914706 | 0.92 | TAAR1 (0.77) | TAAR1PNMTIDO1CYP1A2CYP2D6 | |
| SCHEMBL30785390 | 0.84 | TAAR1 (1.00) | TAAR1PNMTIDO1CYP1A2CYP2D6 | |
| SCHEMBL1570973 | 0.84 | TAAR1 (1.00) | TAAR1PNMTIDO1CYP1A2CYP2D6 | |
| SCHEMBL3788445 | 0.82 | TAAR1 (0.72) | TAAR1PNMTIDO1CYP1A2CYP2D6 | |
| SCHEMBL28006170 | 0.81 | TAAR1 (0.55) | TAAR1PNMTIDO1 | |
| SCHEMBL28253265 | 0.81 | TAAR1 (0.55) | TAAR1PNMTIDO1 | |
| SCHEMBL5701276 | 0.81 | TAAR1 (0.55) | TAAR1PNMTIDO1 | |
| SCHEMBL5105858 | 0.80 | TAAR1 (0.65) | TAAR1PNMTIDO1CYP1A2CYP2D6 | |
| Hydrochloric Acid SCHEMBL28508673 | 0.80 | TAAR1 (0.69) | TAAR1PNMTIDO1CYP1A2CYP2D6 |
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-0799200-A1 | SUBSTITUTED AZETIDIN-2-ONES FOR TREATMENT OF ATHEROSCLEROSIS | SMITHKLINE BEECHAM PLC (GB) | 1997-10-08 | — | — | EP | disclosed |