Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 2/20 | 0.48 |
| ▸ | ESR1 | P03372 | 8/20 | 0.41 |
| ▸ | ESR2 | Q92731 | 6/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.40 |
| ▸ | AR | P10275 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | HSPA5 | P11021 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL67845 | 0.87 | TRPA1 (0.54) | TRPA1ESR1ESR2ACHENPC1 | |
| SCHEMBL599609 | 0.82 | RAPGEF4 (0.41) | TRPA1ESR1ESR2NPC1HPGD | |
| SCHEMBL5680788 | 0.81 | TRPA1 (0.48) | TRPA1ESR1ESR2NPC1HPGD | |
| SCHEMBL2172071 | 0.81 | TRPA1 (0.48) | TRPA1ESR1ESR2ARNPC1 | |
| SCHEMBL1988566 | 0.79 | TRPA1 (0.46) | TRPA1ESR1ESR2ACHENPC1 | |
| SCHEMBL21554158 | 0.79 | ESR1 (0.40) | TRPA1ESR1ESR2ACHEAR | |
| SCHEMBL5849966 | 0.77 | TRPA1 (0.45) | TRPA1ESR1ESR2ACHEAR | |
| SCHEMBL13175021 | 0.77 | TRPA1 (0.45) | TRPA1ESR1ESR2ARNPC1 | |
| SCHEMBL31200486 | 0.77 | TRPA1 (0.45) | TRPA1ESR1ESR2ARNPC1 | |
| SCHEMBL1023068 | 0.77 | PTGS1 (0.55) | TRPA1ESR1ESR2ACHEHSPA5 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2970224-B1 | TRIPEPTIDE EPOXY KETONE PROTEASE INHIBITORS | ONYX THERAPEUTICS INC (US) | 2017-09-06 | — | — | EP | disclosed |
| US-7695525-B2 | Hair dyeing compositions comprising 2-(amino or substituted amino)-3-5-substituted phenol compounds and use thereof | THE PROCTER & GAMBLE COMPANY (US) | 2010-04-13 | — | — | US | disclosed |
| US-7348345-B2 | Nonnucleoside reverse transcriptase inhibitors | ROCHE PALO ALTO LLC (US) | 2008-03-25 | — | — | US | disclosed |