Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 2/20 | 0.46 |
| ▸ | HTR2A | P28223 | 2/20 | 0.44 |
| ▸ | HTR2C | P28335 | 2/20 | 0.44 |
| ▸ | HTR2B | P41595 | 2/20 | 0.44 |
| ▸ | TAAR1 | Q96RJ0 | 6/20 | 0.44 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.44 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL17000172 | 0.85 | GABRA1 (0.40) | — | |
| SCHEMBL15911238 | 0.82 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL5146976 | 0.81 | NR3C2 (0.35) | HTR2AHTR2BSLC6A2SLC6A3 | |
| SCHEMBL30741537 | 0.81 | NR3C2 (0.35) | HTR2AHTR2BSLC6A2SLC6A3 | |
| SCHEMBL31440248 | 0.79 | PARP1 (0.36) | HTR2AHTR2BSLC6A2SLC6A3 | |
| SCHEMBL21667315 | 0.78 | PNMT (0.46) | PNMTHTR2AHTR2CHTR2BTAAR1 | |
| SCHEMBL7271055 | 0.76 | HSD17B10 (0.55) | HTR2A | |
| SCHEMBL29183400 | 0.76 | AR (0.33) | — | |
| SCHEMBL29183405 | 0.76 | AR (0.33) | — | |
| SCHEMBL5287232 | 0.76 | HSD17B10 (0.55) | HTR2A |
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-2493875-B1 | HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INT (DE) | 2014-08-06 | — | — | EP | disclosed |