Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.54 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.54 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.50 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.50 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.50 |
| ▸ | ATM | Q13315 | 1/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.47 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.47 |
| ▸ | RELA | Q04206 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28897181 | 0.88 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL7492024 | 0.83 | FFAR1 (0.55) | CYP1A2CYP3A4CYP2C19ALDH1A1MTNR1A | |
| SCHEMBL11218066 | 0.81 | ALDH1A1 (0.66) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL20544596 | 0.80 | HDAC1 (0.62) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL12685572 | 0.79 | HDAC1 (0.65) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL20545180 | 0.79 | HDAC1 (0.65) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL28667334 | 0.78 | CYP3A4 (0.56) | CYP1A2CYP3A4CYP2D6CYP2C19ALDH1A1 | |
| SCHEMBL8400817 | 0.78 | CYP2C19 (0.60) | CYP2C19ALDH1A1LMNARAB9ASMN1; SMN2 | |
| SCHEMBL6764561 | 0.77 | FFAR1 (0.61) | CYP1A2CYP3A4CYP2C19ALDH1A1LMNA | |
| SCHEMBL9458376 | 0.77 | FFAR1 (0.52) | ALDH1A1LMNAL3MBTL1RAB9ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-0882044-A1 | 1,4-DIHYDROPYRIDINE COMPOUNDS AS BRADYKININ ANTAGONISTS | PFIZER INC. (US) | 1998-12-09 | — | — | EP | disclosed |
| WO-1997030048-A1 | 1,4-DIHYDROPYRIDINE COMPOUNDS AS BRADYKININ ANTAGONISTS | PFIZER PHARMACEUTICALS INC. (JP) | 1997-08-21 | — | — | WO | disclosed |