Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.56 |
| ▸ | HTR2C | P28335 | 1/20 | 0.56 |
| ▸ | HTR2B | P41595 | 1/20 | 0.56 |
| ▸ | PNMT | P11086 | 1/20 | 0.54 |
| ▸ | IDO1 | P14902 | 1/20 | 0.51 |
| ▸ | TDO2 | P48775 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | DAO | P14920 | 1/20 | 0.48 |
| ▸ | CES2 | O00748 | 1/20 | 0.46 |
| ▸ | ACP3 | P15309 | 1/20 | 0.46 |
| ▸ | TACR1 | P25103 | 1/20 | 0.45 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.44 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.44 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.44 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.43 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | PDE2A | O00408 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL40102 | 0.98 | HTR2A (0.58) | HTR2AHTR2CHTR2BPNMTIDO1 | |
| SCHEMBL1728826 | 0.98 | HTR2A (0.58) | HTR2AHTR2CHTR2BPNMTIDO1 | |
| SCHEMBL29504910 | 0.98 | HTR2A (0.58) | HTR2AHTR2CHTR2BPNMTIDO1 | |
| SCHEMBL334964 | 0.98 | HTR2A (0.58) | HTR2AHTR2CHTR2BPNMTIDO1 | |
| Hydrochloric Acid SCHEMBL23246369 | 0.96 | HTR2A (0.56) | HTR2AHTR2CHTR2BPNMTIDO1 | |
| Hydrochloric Acid SCHEMBL14121095 | 0.96 | HTR2A (0.56) | HTR2AHTR2CHTR2BPNMTIDO1 | |
| Hydrochloric Acid SCHEMBL7787892 | 0.96 | HTR2A (0.56) | HTR2AHTR2CHTR2BPNMTIDO1 | |
| SCHEMBL10913587 | 0.93 | IDO1 (0.57) | HTR2AHTR2CHTR2BPNMTIDO1 | |
| SCHEMBL18266127 | 0.85 | PDE2A (0.47) | HTR2AHTR2CHTR2BPNMTIDO1 | |
| SCHEMBL18266126 | 0.85 | PDE2A (0.47) | HTR2AHTR2CHTR2BPNMTIDO1 |
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-0762877-A1 | META SUBSTITUTED ARYLALKYLAMINES AND THERAPEUTIC AND DIAGNOSTIC USES THEREOF | Elmaleh, David, R. (US) | 1997-03-19 | — | — | EP | disclosed |
| WO-1995033455-A1 | META SUBSTITUTED ARYLALKYLAMINES AND THERAPEUTIC AND DIAGNOSTIC USES THEREOF | ELMALEH DAVID R (US) | 1995-12-14 | — | — | WO | disclosed |