Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADRA2A | P08913 | 2/20 | 0.47 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.47 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.47 |
| ▸ | SLC18A2 | Q05940 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.32 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.32 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL9246193 | 0.85 | ADRA2A (0.44) | ADRA2AADRA2BADRA2CSLC18A2TAAR1 | |
| SCHEMBL9244535 | 0.82 | ADRA2A (0.46) | ADRA2AADRA2BADRA2CTAAR1HTR1A | |
| SCHEMBL9244528 | 0.82 | ADRA2A (0.46) | ADRA2AADRA2BADRA2CTAAR1HTR1A | |
| SCHEMBL9247649 | 0.82 | BCHE (0.35) | ADRA2AADRA2BADRA2CSLC6A2SLC6A4 | |
| SCHEMBL9246484 | 0.81 | SLC18A2 (0.39) | SLC18A2SLC6A2SLC6A4TAAR1BCHE | |
| SCHEMBL8718768 | 0.78 | SLC18A2 (0.46) | SLC18A2SLC6A2SLC6A4BCHEHRH3 | |
| SCHEMBL10965566 | 0.71 | ADRA2A (0.72) | ADRA2AADRA2BADRA2CTAAR1HTR1A | |
| SCHEMBL9247192 | 0.70 | ADRA2A (0.43) | ADRA2AADRA2BADRA2CSLC18A2TAAR1 | |
| SCHEMBL9246189 | 0.69 | SLC6A2 (0.32) | SLC6A2SLC6A4BCHEHRH3 | |
| SCHEMBL9244345 | 0.69 | ALOX5AP (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5449785-A | Fungicides with triazole groups | HOFFMANN-LA ROCHE INC. (US) | 1995-09-12 | — | — | US | disclosed |
| EP-0524439-A1 | Novel cyclohexane and tetrahydropyran derivatives and antifungal compositions containing these derivatives | F.HOFFMANN-LA ROCHE & CO. AKTIENGESELLSCHAFT (CH) | 1993-01-27 | — | — | EP | disclosed |