Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR1A | P08908 | 3/20 | 0.60 |
| ▸ | TRPV1 | Q8NER1 | 5/20 | 0.58 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.58 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.58 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.58 |
| ▸ | LTA4H | P09960 | 2/20 | 0.58 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.58 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.58 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.58 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.58 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.58 |
| ▸ | CYP2B6 | P20813 | 1/20 | 0.58 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | HPGD | P15428 | 2/20 | 0.52 |
| ▸ | MEN1 | O00255 | 1/20 | 0.52 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | MTOR | P42345 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | CNR1 | P21554 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL8624439 | 0.83 | LTA4H (0.46) | HTR1ATRPV1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL8377605 | 0.82 | HTR1A (0.67) | HTR1ATRPV1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4885150 | 0.75 | HTR1A (1.00) | HTR1ATRPV1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL5702708 | 0.75 | CYP2D6 (0.69) | HTR1ATRPV1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4885163 | 0.75 | HTR1A (1.00) | HTR1ATRPV1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4886657 | 0.75 | HTR1A (1.00) | HTR1ATRPV1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL6112654 | 0.75 | CNR1 (0.69) | HTR1ATRPV1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL4886648 | 0.75 | HTR1A (1.00) | HTR1ATRPV1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29929370 | 0.75 | CYP2D6 (0.69) | HTR1ATRPV1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL29929008 | 0.75 | CYP2D6 (0.69) | HTR1ATRPV1CYP1A2CYP3A4CYP2D6 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5762963-A | DISPERSING IN SOLID OR GEL VEHICLE IN WHICH CONCENTRATION OF CAPSAICINOID DECREASES FROM CENTER TOWARD PERIPHERY; FOR MOUTH, THROAT PAIN RELIEF | EMORY UNIVERSITY (US) | 1998-06-09 | — | — | US | claimed |