Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA2D1 | P54289 | 3/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.35 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.35 |
| ▸ | SLC6A9 | P48067 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.34 |
| ▸ | NPC1 | O15118 | 3/20 | 0.34 |
| ▸ | RAB9A | P51151 | 3/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | OPRM1 | P35372 | 6/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | MITF | O75030 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | DRD4 | P21917 | 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 | |
|---|---|---|---|---|
| SCHEMBL5237036 | 0.91 | CACNA2D1 (0.42) | CACNA2D1CHRM2CHRM3OPRM1KDM4E | |
| SCHEMBL5237690 | 0.91 | CACNA2D1 (0.41) | CACNA2D1UCHL1KMT2ANPC1RAB9A | |
| SCHEMBL5235781 | 0.91 | ALDH1A1 (0.34) | CACNA2D1UCHL1KMT2ANPC1RAB9A | |
| SCHEMBL5236494 | 0.89 | GAA (0.35) | CACNA2D1CHRM2CHRM3UCHL1OPRM1 | |
| SCHEMBL5234101 | 0.88 | GAA (0.39) | CACNA2D1KMT2ANPC1RAB9AMEN1 | |
| SCHEMBL5238148 | 0.88 | POLB (0.40) | CACNA2D1OPRM1KDM4EALDH1A1SMN1; SMN2 | |
| SCHEMBL5233487 | 0.85 | ALDH1A1 (0.38) | CACNA2D1CHRM2CHRM3UCHL1SLC6A9 | |
| SCHEMBL5233491 | 0.85 | ALDH1A1 (0.38) | CACNA2D1CHRM2CHRM3UCHL1SLC6A9 | |
| SCHEMBL5233869 | 0.85 | OPRM1 (0.36) | CACNA2D1CHRM2CHRM3KMT2AOPRM1 | |
| SCHEMBL5234194 | 0.84 | OPRM1 (0.37) | CACNA2D1CHRM2CHRM3KMT2AOPRM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1730116-B1 | 4-CARBOX PYRAZOLE DERIVATES USEFUL AS ANTI-VIRAL AGENTS | SMITHKLINE BEECHAM CORP (US) | 2007-09-05 | — | — | EP | claimed |