Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 5/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.37 |
| ▸ | HTR2A | P28223 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | HTR7 | P34969 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | HTR3A | P46098 | 1/20 | 0.37 |
| ▸ | HTR4 | Q13639 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 3/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.33 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.33 |
| ▸ | GBA1 | P04062 | 2/20 | 0.32 |
| ▸ | UGCG | Q16739 | 2/20 | 0.32 |
| ▸ | GBA2 | Q9HCG7 | 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 | |
|---|---|---|---|---|
| SCHEMBL8714567 | 1.00 | SLC6A2 (0.37) | SLC6A2SLC6A4SLC6A3HTR2AHTR2C | |
| SCHEMBL8717961 | 0.87 | HRH3 (0.38) | SLC6A2SLC6A4SLC6A3HTR2AHTR2C | |
| SCHEMBL9247362 | 0.87 | HRH3 (0.38) | SLC6A2SLC6A4SLC6A3HTR2AHTR2C | |
| SCHEMBL9250610 | 0.75 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3HTR2AHTR2C | |
| SCHEMBL8715359 | 0.75 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3HTR2AHTR2C | |
| SCHEMBL8718767 | 0.72 | HRH3 (0.40) | SLC6A2SLC6A4SLC6A3HTR2AHTR2C | |
| SCHEMBL9243845 | 0.72 | HRH3 (0.40) | SLC6A2SLC6A4SLC6A3HTR2AHTR2C | |
| SCHEMBL9243839 | 0.72 | HRH3 (0.40) | SLC6A2SLC6A4SLC6A3HTR2AHTR2C | |
| SCHEMBL9241780 | 0.69 | REN (0.41) | SLC6A4HRH3 | |
| SCHEMBL9241703 | 0.69 | CYP19A1 (0.47) | HRH3 |
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 |