Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CALCA | P06881 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 5/20 | 0.34 |
| ▸ | HCRTR1 | O43613 | 5/20 | 0.33 |
| ▸ | HCRTR2 | O43614 | 5/20 | 0.33 |
| ▸ | ALOX5AP | P20292 | 2/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | CYSLTR2 | Q9NS75 | 1/20 | 0.32 |
| ▸ | CYSLTR1 | Q9Y271 | 1/20 | 0.32 |
| ▸ | BRD4 | O60885 | 1/20 | 0.32 |
| ▸ | LGALS3 | P17931 | 1/20 | 0.32 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL9244600 | 1.00 | CALCA (0.36) | CALCAPDE10AHCRTR1HCRTR2ALOX5AP | |
| SCHEMBL9243685 | 0.91 | CALCA (0.35) | CALCAPDE10AHCRTR1HCRTR2CYP19A1 | |
| SCHEMBL9250615 | 0.84 | REN (0.34) | PDE10AHCRTR1HCRTR2ALOX5APCYSLTR2 | |
| SCHEMBL9250622 | 0.84 | REN (0.34) | PDE10AHCRTR1HCRTR2ALOX5APCYSLTR2 | |
| SCHEMBL9247259 | 0.83 | POLB (0.47) | CYP19A1 | |
| SCHEMBL9247262 | 0.83 | POLB (0.47) | CYP19A1 | |
| SCHEMBL9243678 | 0.82 | CYP19A1 (0.31) | CALCACYP19A1 | |
| SCHEMBL9244554 | 0.82 | ALOX5AP (0.38) | ALOX5APCYSLTR2CYSLTR1BRD4 | |
| SCHEMBL8715857 | 0.82 | ALOX5AP (0.38) | ALOX5APCYSLTR2CYSLTR1BRD4 | |
| SCHEMBL9244337 | 0.81 | PDE10A (0.35) | CALCAPDE10AHCRTR1HCRTR2ALOX5AP |
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 |