Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.53 |
| ▸ | IDO1 | P14902 | 2/20 | 0.43 |
| ▸ | AGXT | P21549 | 2/20 | 0.43 |
| ▸ | PYCR1 | P32322 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.41 |
| ▸ | GBA1 | P04062 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | PNMT | P11086 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | MAOA | P21397 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL10209865 | 0.81 | MAOA (0.43) | TAAR1SIGMAR1PNMTEPHX1MAOA | |
| SCHEMBL10209866 | 0.81 | MAOA (0.43) | TAAR1SIGMAR1PNMTEPHX1MAOA | |
| SCHEMBL6478004 | 0.81 | TAAR1 (0.48) | TAAR1IDO1AGXTSIGMAR1CYP1A2 | |
| SCHEMBL12556145 | 0.80 | PNMT (0.64) | TAAR1IDO1AGXTPYCR1PNMT | |
| SCHEMBL19737067 | 0.80 | TAAR1 (0.53) | TAAR1IDO1AGXTPNMTRIPK1 | |
| SCHEMBL21187234 | 0.79 | TAAR1 (0.55) | TAAR1IDO1AGXTSIGMAR1CYP1A2 | |
| SCHEMBL30641041 | 0.79 | TAAR1 (0.55) | TAAR1IDO1AGXTSIGMAR1CYP1A2 | |
| Hydrochloric Acid SCHEMBL1764749 | 0.79 | PNMT (0.62) | TAAR1IDO1AGXTPYCR1SIGMAR1 | |
| Hydrochloric Acid SCHEMBL1764747 | 0.79 | PNMT (0.62) | TAAR1IDO1AGXTPYCR1SIGMAR1 | |
| SCHEMBL21583913 | 0.78 | PNMT (0.60) | TAAR1IDO1AGXTSIGMAR1PNMT |
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-3227263-A1 | CXCR7 RECEPTOR MODULATORS | Actelion Pharmaceuticals Ltd (CH) | 2017-10-11 | — | — | EP | disclosed |
| WO-2016087370-A1 | CXCR7 RECEPTOR MODULATORS | ACTELION PHARMACEUTICALS LTD (CH) | 2016-06-09 | — | — | WO | disclosed |