Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | SLC1A5 | Q15758 | 2/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | GRIK1 | P39086 | 1/20 | 0.38 |
| ▸ | GRIK2 | Q13002 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9434629 | 1.00 | CA12 (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9434020 | 0.90 | GAA (0.35) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9434034 | 0.90 | GAA (0.35) | CA12CA1CA2CA7CA9 | |
| SCHEMBL7864231 | 0.84 | CYP2A6 (0.48) | CYP1A2CYP3A4CYP2C9CYP2C19FFAR1 | |
| SCHEMBL7864229 | 0.84 | CYP2A6 (0.48) | CYP1A2CYP3A4CYP2C9CYP2C19FFAR1 | |
| SCHEMBL27545848 | 0.79 | ALDH1A1 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL14784333 | 0.79 | CYP1A2 (0.48) | CA12CA1CA2CA7CA9 | |
| SCHEMBL9434090 | 0.79 | PPARD (0.46) | GAANPC1RAB9AFFAR1 | |
| SCHEMBL9434074 | 0.79 | PPARD (0.46) | GAANPC1RAB9AFFAR1 | |
| SCHEMBL25200657 | 0.76 | GAA (0.44) | CA12CA1CA2CA7CA9 |
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-5276150-A | Vasodilators, anticoagulants, calcium channel blockers | FUJIREBIO INC. (JP) | 1994-01-04 | — | — | US | disclosed |
| EP-0400660-A1 | 1,4-dihydropyridine derivatives | FUJIREBIO INC. (JP) | 1990-12-05 | — | — | EP | disclosed |