Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.47 |
| ▸ | CES1 | P23141 | 1/20 | 0.47 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9458372 | 0.86 | L3MBTL1 (0.50) | CES2CES1AKR1B1ALDH1A1LMNA | |
| SCHEMBL8674079 | 0.84 | SMN1; SMN2 (0.45) | ALDH1A1LMNARAB9AMEN1KMT2A | |
| SCHEMBL11067848 | 0.82 | ALDH1A1 (0.44) | CES2CES1AKR1B1ALDH1A1LMNA | |
| SCHEMBL7324968 | 0.82 | ALDH1A1 (0.45) | CES2CES1AKR1B1ALDH1A1LMNA | |
| SCHEMBL2637708 | 0.81 | ALDH1A1 (0.57) | CES2CES1AKR1B1ALDH1A1LMNA | |
| SCHEMBL9079364 | 0.80 | CES1 (0.54) | CES2CES1AKR1B1ALDH1A1LMNA | |
| SCHEMBL51367 | 0.80 | CES1 (0.64) | CES2CES1AKR1B1ALDH1A1LMNA | |
| SCHEMBL7634176 | 0.78 | CES2 (0.52) | CES2CES1AKR1B1ALDH1A1LMNA | |
| SCHEMBL6363616 | 0.78 | CES1 (0.61) | CES2CES1AKR1B1ALDH1A1LMNA | |
| SCHEMBL9111034 | 0.78 | CES1 (0.61) | CES2CES1AKR1B1ALDH1A1LMNA |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0882044-B1 | 1,4-DIHYDROPYRIDINE COMPOUNDS AS BRADYKININ ANTAGONISTS | PFIZER (US) | 2002-07-17 | — | — | EP | disclosed |
| EP-0777653-B1 | DIHYGROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS | PFIZER (US) | 2001-08-22 | — | — | EP | disclosed |
| EP-0730590-B1 | ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS | DU PONT PHARM CO (US) | 2001-01-17 | — | — | EP | disclosed |
| US-6156752-A | Optically active 1,4-dihydropyridine compounds as bradykinin antagonists | PFIZER INC (US) | 2000-12-05 | — | — | US | disclosed |
| 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 |
| US-6114328-A | ANTICOAGULANTS; BLOOD DISORDERS | DUPONT PHARMACEUTICALS COMPANY (US) | 2000-09-05 | — | — | US | disclosed |
| EP-0970950-A2 | Novel isoxazoline and isoxazole fibrinogen receptor antagonists | DuPont Pharmaceuticals Company (US) | 2000-01-12 | — | — | EP | disclosed |
| EP-0899261-A1 | Optical active 1,4-dihydropyridine compounds as bradykinin antagonists | PFIZER INC. (US) | 1999-03-03 | — | — | EP | disclosed |
| US-5859011-A | Dihydropyridine derivatives as bradykinin antagonist | PFIZER INC. (US) | 1999-01-12 | — | — | US | disclosed |
| US-5849736-A | Isoxazoline and isoxazole fibrinogen receptor antagonists | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1998-12-15 | — | — | 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 |
| EP-0777653-A1 | DIHYGROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS | PFIZER INC. (US) | 1997-06-11 | — | — | EP | disclosed |
| EP-0730590-A1 | NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1996-09-11 | — | — | EP | disclosed |
| WO-1996006083-A1 | 2-(PIPERAZINYL-1-CARBONYLMETHYL)-1,4-DIHYDROPYRIDINES AS BRADYKININ ANTAGONISTS | PFIZER PHARMACEUTICALS INC. (JP) | 1996-02-29 | — | — | WO | disclosed |
| WO-1996006082-A1 | DIHYDROPYRIDINE DERIVATIVES AS BRADYKININ ANTAGONISTS | PFIZER INC. (US) | 1996-02-29 | — | — | WO | disclosed |
| WO-1995014683-A1 | NOVEL ISOXAZOLINE AND ISOXAZOLE FIBRINOGEN RECEPTOR ANTAGONISTS | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1995-06-01 | — | — | WO | disclosed |