Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.35 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | RET | P07949 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.30 |
| ▸ | DRD3 | P35462 | 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 | |
|---|---|---|---|---|
| SCHEMBL4302 | 0.78 | POLB (0.44) | POLB | |
| SCHEMBL10673816 | 0.74 | TAAR1 (0.38) | TAAR1CYP2E1CYP2A6CYP2B6SLC6A2 | |
| SCHEMBL8991864 | 0.72 | MAPK1 (0.47) | DRD2 | |
| SCHEMBL8995181 | 0.72 | — | — | |
| SCHEMBL769589 | 0.72 | CYP2E1 (0.38) | CYP2E1CYP2A6CYP2B6 | |
| SCHEMBL6986464 | 0.69 | MAPT (0.51) | TAAR1DRD2 | |
| SCHEMBL16910288 | 0.67 | TAAR1 (0.50) | TAAR1CYP2E1CYP2A6CYP2B6SLC6A2 | |
| SCHEMBL2423602 | 0.66 | — | — | |
| SCHEMBL9192338 | 0.66 | — | — | |
| SCHEMBL7319575 | 0.66 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3471729-A1 | THERAPEUTIC COMPOUNDS | Rutgers, the State University of New Jersey (US) | 2019-04-24 | — | — | EP | disclosed |
| WO-2017222930-A1 | THERAPEUTIC COMPOUNDS | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2017-12-28 | — | — | WO | disclosed |