Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TBXAS1 | P24557 | 5/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.45 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9826871 | 1.00 | TBXAS1 (0.53) | TBXAS1CYP2D6CYP1A2CYP3A4CYP1A1 | |
| SCHEMBL8168491 | 0.82 | FAAH (0.54) | TBXAS1CYP3A4MEN1KMT2AALOX15 | |
| SCHEMBL5497372 | 0.80 | KCNA5 (0.48) | TBXAS1CYP1A2CYP3A4NPC1RAB9A | |
| SCHEMBL8461392 | 0.77 | CYP1A2 (0.49) | TBXAS1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10512019 | 0.77 | CYP1A2 (0.49) | TBXAS1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL10985939 | 0.75 | TBXAS1 (0.50) | TBXAS1CYP2D6CYP1A2CYP3A4CYP1A1 | |
| SCHEMBL6178344 | 0.74 | CYP1A2 (0.51) | TBXAS1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL28365595 | 0.74 | PPARA (0.62) | TBXAS1CYP2C19TDP1 | |
| SCHEMBL22775934 | 0.73 | CYP1A2 (0.50) | TBXAS1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL20613567 | 0.73 | ACLY (0.54) | TBXAS1KMT2ACYP2C19ALOX15KDM4E |
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-0111997-B1 | VINYL CARBOXYLIC ACID DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1991-04-10 | — | — | EP | disclosed |
| US-4518602-A | Vinyl carboxylic acid derivatives, their production and use as inhibitors of thromboxane synthetase | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1985-05-21 | — | — | US | disclosed |
| EP-0111997-A2 | Vinyl carboxylic acid derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1984-06-27 | — | — | EP | disclosed |