Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.48 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | TACR2 | P21452 | 1/20 | 0.39 |
| ▸ | BCHE | P06276 | 1/20 | 0.39 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.39 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.38 |
| ▸ | SSTR2 | P30874 | 1/20 | 0.38 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.38 |
| ▸ | SSTR3 | P32745 | 1/20 | 0.38 |
| ▸ | SSTR5 | P35346 | 1/20 | 0.38 |
| ▸ | LGALS8 | O00214 | 1/20 | 0.38 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.38 |
| ▸ | MTOR | P42345 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | GJB2 | P29033 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8714420 | 1.00 | SLC6A2 (0.48) | SLC6A2CYP2C19MAPTTACR2BCHE | |
| SCHEMBL8714419 | 1.00 | SLC6A2 (0.48) | SLC6A2CYP2C19MAPTTACR2BCHE | |
| SCHEMBL20147259 | 0.92 | SLC6A2 (0.52) | SLC6A2CYP2C19MAPTTACR2BCHE | |
| SCHEMBL12162838 | 0.92 | SLC6A2 (0.52) | SLC6A2CYP2C19MAPTTACR2BCHE | |
| SCHEMBL8717719 | 0.87 | SLC6A2 (0.54) | SLC6A2CYP2C19MAPTTACR2BCHE | |
| SCHEMBL2692797 | 0.84 | SLC6A2 (0.48) | SLC6A2CYP2C19MAPTTACR2BCHE | |
| SCHEMBL20843083 | 0.84 | SLC6A2 (0.53) | SLC6A2CYP2C19MAPTBCHEPDE4D | |
| SCHEMBL13295934 | 0.84 | CYP2C19 (0.41) | SLC6A2CYP2C19MAPTBCHESSTR1 | |
| SCHEMBL24894599 | 0.81 | SLC6A2 (0.58) | SLC6A2CYP2C19TACR2BCHEPDE4D | |
| SCHEMBL22710225 | 0.81 | SLC6A2 (0.58) | SLC6A2CYP2C19TACR2BCHEPDE4D |
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 |