Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1L1 | Q9UHC9 | 4/20 | 0.57 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.47 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL5563023 | 0.93 | NPC1L1 (0.64) | NPC1L1OPRD1OPRK1 | |
| SCHEMBL11049777 | 0.89 | MEN1 (0.53) | MEN1TP53CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL319882 | 0.87 | MEN1 (0.49) | NPC1L1MEN1TP53CYP1A2CYP3A4 | |
| SCHEMBL318723 | 0.87 | NPC1L1 (0.59) | NPC1L1MEN1CYP3A4CYP2D6KMT2A | |
| SCHEMBL10248111 | 0.86 | NPC1L1 (0.63) | NPC1L1 | |
| SCHEMBL319007 | 0.84 | MEN1 (0.51) | NPC1L1MEN1TP53CYP1A2CYP3A4 | |
| SCHEMBL318225 | 0.84 | NPC1L1 (0.59) | NPC1L1MEN1TP53CYP1A2CYP3A4 | |
| SCHEMBL12490745 | 0.84 | NPC1L1 (0.59) | NPC1L1 | |
| SCHEMBL318756 | 0.84 | NPC1L1 (0.61) | NPC1L1 | |
| SCHEMBL318333 | 0.84 | NPC1L1 (0.56) | NPC1L1MEN1CYP3A4CYP2D6MAPT |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0696280-B1 | SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS | MERRELL PHARMA INC (US) | 1997-09-24 | — | — | EP | disclosed |
| US-5661160-A | ADMINISTERING AN ANTITUSSIVE AGENT FOR TREATING COUGH; TACHYKININ ANTAGONISM, SUBSTANCE P AND NEUROKININ A ANTAGONISM | MERRELL PHARMACEUTICALS INC. (US) | 1997-08-26 | — | — | US | disclosed |
| US-5648366-A | TACHYKININ ANTAGONISTS USEFUL IN TREATING ASTHMA | MERRELL PHARMACEUTICALS INC. (US) | 1997-07-15 | — | — | US | disclosed |
| US-5635510-A | TACHYKININ (ESPECIALLY SUBSTANCE P AND NEUROKININ A) ANTAGONISTS; ANTIINFLAMMATORY AGENTS, ANALGESICS; NERVOUS SYSTEM DISORDERS; BRONCHODILATOR AGENTS | MERRELL PHARMACEUTICALS INC. (US) | 1997-06-03 | — | — | US | disclosed |
| EP-0696280-A1 | SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS | MERRELL DOW PHARMA (US) | 1996-02-14 | — | — | EP | disclosed |
| WO-1994026735-A1 | SUBSTITUTED PYRROLIDIN-3-YL-ALKYL-PIPERIDINES USEFUL AS TACHYKININ ANTAGONISTS | MERRELL DOW PHARMACEUTICALS INC. (US) | 1994-11-24 | — | — | WO | disclosed |