Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 3/20 | 0.44 |
| ▸ | ABCB11 | O95342 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.44 |
| ▸ | ADRB3 | P13945 | 2/20 | 0.44 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.44 |
| ▸ | ADRA1A | P35348 | 2/20 | 0.44 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.44 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.44 |
| ▸ | SCN5A | Q14524 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL7491122 | 0.89 | MEN1 (0.35) | CYP2C9KDM4EMEN1CYP1A2CYP3A4 | |
| SCHEMBL7492036 | 0.82 | ALDH1A1 (0.40) | CYP2C9ABCB11KDM4EMEN1CYP1A2 | |
| SCHEMBL6153144 | 0.80 | PPARG (0.35) | MEN1KMT2AALDH1A1HPGDLMNA | |
| SCHEMBL8049696 | 0.79 | ALDH1A1 (0.37) | CYP2C9KDM4EMEN1CYP1A2CYP3A4 | |
| SCHEMBL6154669 | 0.73 | MEN1 (0.36) | CYP2C9ABCB11KDM4EMEN1CYP1A2 | |
| SCHEMBL7439079 | 0.72 | CYP2C9 (0.69) | CYP2C9ABCB11KDM4EMEN1CYP1A2 | |
| SCHEMBL10933425 | 0.72 | CYP2C9 (0.65) | CYP2C9ABCB11KDM4EMEN1CYP1A2 | |
| SCHEMBL7836265 | 0.72 | SLC7A5 (0.39) | KDM4EMEN1KMT2AALDH1A1HPGD | |
| SCHEMBL10746132 | 0.71 | CYP2C9 (0.64) | CYP2C9ABCB11KDM4EMEN1CYP1A2 | |
| SCHEMBL6153461 | 0.71 | CYP4F2 (0.34) | CYP2C9ABCB11KDM4EMEN1CYP1A2 |
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-6131226-A | 2-SUBSTITUTED,3,5-BIS(METHOXYCARBONYL),4-(2,6-DIHALOPHENYL), 6-(1-((SUBSTITUTED)RING)PIPERAZIN-1,4-YLENE-CARBONYLMETHYL)-1, 4-DIHYDROPYRIDINES; FOR TREATING INFLAMMATION, PAIN, VIRAL INFECTIONS, CARDIOVASCULAR DISEASE, ALLERGIES, ASTHMA | PFIZER INC. (US) | 2000-10-17 | — | — | US | disclosed |