Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | DGAT1 | O75907 | 8/20 | 0.35 |
| ▸ | SOAT1 | P35610 | 5/20 | 0.35 |
| ▸ | APP | P05067 | 2/20 | 0.34 |
| ▸ | TNKS | O95271 | 3/20 | 0.34 |
| ▸ | TNKS2 | Q9H2K2 | 3/20 | 0.34 |
| ▸ | PARP1 | P09874 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.33 |
| ▸ | FAAH | O00519 | 1/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | DGAT2 | Q96PD7 | 1/20 | 0.33 |
| ▸ | PDE10A | Q9Y233 | 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 | |
|---|---|---|---|---|
| SCHEMBL8774515 | 1.00 | TRPV3 (0.39) | TRPV3CYP2C9CYP3A4ESR2ESR1 | |
| SCHEMBL8774545 | 0.90 | CYP2C9 (0.45) | TRPV3CYP2C9CYP3A4ESR2ESR1 | |
| SCHEMBL8774552 | 0.90 | CYP2C9 (0.45) | TRPV3CYP2C9CYP3A4ESR2ESR1 | |
| SCHEMBL8774676 | 0.88 | TRPV3 (0.37) | TRPV3CYP2C9CYP3A4ESR2ESR1 | |
| SCHEMBL8774681 | 0.88 | TRPV3 (0.37) | TRPV3CYP2C9CYP3A4ESR2ESR1 | |
| SCHEMBL8774732 | 0.87 | CYP2C9 (0.38) | CYP2C9CYP3A4ESR2ESR1ALDH1A1 | |
| SCHEMBL8774725 | 0.87 | CYP2C9 (0.38) | CYP2C9CYP3A4ESR2ESR1ALDH1A1 | |
| SCHEMBL8774875 | 0.86 | MAPT (0.40) | CYP2C9CYP3A4ESR2ALDH1A1DGAT1 | |
| SCHEMBL8774881 | 0.86 | MAPT (0.40) | CYP2C9CYP3A4ESR2ALDH1A1DGAT1 | |
| SCHEMBL8774429 | 0.85 | TRPV3 (0.36) | TRPV3IDO1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0519370-B1 | Heterocyclic derivatives | MERCK PATENT GMBH (DE) | 1997-11-05 | — | — | EP | disclosed |
| EP-0519370-A2 | Heterocyclic derivatives | MERCK PATENT GmbH (DE) | 1992-12-23 | — | — | EP | disclosed |