Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | IDO1 | P14902 | 1/20 | 0.40 |
| ▸ | AGXT | P21549 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.38 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.38 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL666545 | 0.80 | TSHR (0.57) | TSHRIDO1AGXTCYP1A2CYP2C19 | |
| SCHEMBL114175 | 0.77 | TSHR (0.48) | TSHRIDO1AGXTCYP1A2CYP2C19 | |
| SCHEMBL4371522 | 0.75 | TSHR (0.46) | TSHRIDO1AGXTALDH1A1TAAR1 | |
| SCHEMBL1535619 | 0.75 | TSHR (0.46) | TSHRIDO1AGXTCYP1A2CYP2C19 | |
| Isobutane SCHEMBL28356390 | 0.73 | TSHR (0.44) | TSHRIDO1AGXTCYP1A2CYP2C19 | |
| SCHEMBL7717200 | 0.72 | TSHR (0.43) | TSHRIDO1AGXTALDH1A1TAAR1 | |
| SCHEMBL27854242 | 0.72 | TSHR (0.43) | TSHRIDO1AGXTALDH1A1TAAR1 | |
| SCHEMBL7717199 | 0.72 | TSHR (0.43) | TSHRIDO1AGXTALDH1A1TAAR1 | |
| SCHEMBL28288081 | 0.72 | TSHR (0.43) | TSHRIDO1AGXTALDH1A1TAAR1 | |
| SCHEMBL15003 | 0.72 | TSHR (0.52) | TSHRIDO1AGXTCYP1A2CYP2C19 |
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-1304325-A1 | 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-04-23 | — | — | EP | disclosed |