Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 3/20 | 0.34 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HTR7 | P34969 | 1/20 | 0.34 |
| ▸ | HTR2B | P41595 | 1/20 | 0.34 |
| ▸ | HTR3A | P46098 | 1/20 | 0.34 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.34 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.34 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.34 |
| ▸ | REN | P00797 | 5/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | HCRTR1 | O43613 | 1/20 | 0.32 |
| ▸ | HCRTR2 | O43614 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8715359 | 0.89 | SLC6A2 (0.39) | HRH3SLC6A2SLC6A4SLC6A3HTR2A | |
| SCHEMBL9250610 | 0.89 | SLC6A2 (0.39) | HRH3SLC6A2SLC6A4SLC6A3HTR2A | |
| SCHEMBL9244400 | 0.79 | CYP19A1 (0.45) | HRH3 | |
| SCHEMBL9249046 | 0.79 | REN (0.43) | HRH3SLC6A2SLC6A4SLC6A3HTR2A | |
| SCHEMBL8715069 | 0.76 | HRH3 (0.35) | HRH3SLC6A2SLC6A4SLC6A3HTR2A | |
| SCHEMBL8714472 | 0.75 | SLC6A2 (0.34) | HRH3SLC6A2SLC6A4SLC6A3HTR2A | |
| SCHEMBL8714475 | 0.74 | HRH3 (0.34) | HRH3SLC6A2SLC6A4SLC6A3HTR2A | |
| SCHEMBL8717961 | 0.74 | HRH3 (0.38) | HRH3SLC6A2SLC6A4SLC6A3HTR2A | |
| SCHEMBL9247362 | 0.74 | HRH3 (0.38) | HRH3SLC6A2SLC6A4SLC6A3HTR2A | |
| SCHEMBL8714473 | 0.72 | GBA1 (0.32) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5719291-A | FUNGICIDE | HOFFMANN-LA ROCHE INC. (US) | 1998-02-17 | — | — | US | disclosed |
| 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 |