Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 4/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 4/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | HTR2B | P41595 | 1/20 | 0.38 |
| ▸ | HTR3A | P46098 | 1/20 | 0.38 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.38 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8717961 | 1.00 | HRH3 (0.38) | HRH3SLC6A4SLC6A2SLC6A3HTR2A | |
| SCHEMBL8714567 | 0.87 | SLC6A2 (0.37) | HRH3SLC6A4SLC6A2SLC6A3HTR2A | |
| SCHEMBL9249302 | 0.87 | SLC6A2 (0.37) | HRH3SLC6A4SLC6A2SLC6A3HTR2A | |
| SCHEMBL9250610 | 0.83 | SLC6A2 (0.39) | HRH3SLC6A4SLC6A2SLC6A3HTR2A | |
| SCHEMBL8715359 | 0.83 | SLC6A2 (0.39) | HRH3SLC6A4SLC6A2SLC6A3HTR2A | |
| SCHEMBL9241780 | 0.80 | REN (0.41) | HRH3SLC6A4ACHEHTR1AMEN1 | |
| SCHEMBL9241703 | 0.80 | CYP19A1 (0.47) | HRH3 | |
| SCHEMBL9247365 | 0.80 | SLC18A2 (0.42) | HRH3SLC6A4SLC6A2ADAM17BCHE | |
| SCHEMBL9243845 | 0.75 | HRH3 (0.40) | HRH3SLC6A4SLC6A2SLC6A3HTR2A | |
| SCHEMBL8718767 | 0.75 | HRH3 (0.40) | HRH3SLC6A4SLC6A2SLC6A3HTR2A |
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 |