Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 5/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29018886 | 1.00 | MEN1 (0.51) | MEN1KMT2ALMNAALDH1A1POLB | |
| SCHEMBL17765014 | 0.85 | TRPM8 (0.54) | MEN1KMT2ALMNAALDH1A1POLB | |
| SCHEMBL6118841 | 0.85 | MEN1 (0.47) | MEN1KMT2ALMNAALDH1A1POLB | |
| SCHEMBL1205835 | 0.82 | KMT2A (0.50) | MEN1KMT2ALMNAALDH1A1POLB | |
| SCHEMBL27601264 | 0.81 | NR4A2 (0.53) | MEN1KMT2ALMNAALDH1A1POLB | |
| SCHEMBL18586587 | 0.81 | CYP2D6 (0.43) | LMNAALDH1A1MDM2CYP1A2CYP2D6 | |
| SCHEMBL8165661 | 0.78 | FOLH1 (0.58) | MEN1KMT2AALDH1A1HSD17B10CYP1A2 | |
| SCHEMBL18586590 | 0.78 | CYP2D6 (0.43) | MEN1KMT2ALMNAALDH1A1CYP1A2 | |
| SCHEMBL16412300 | 0.77 | DPP7 (0.56) | NPC1 | |
| SCHEMBL16412301 | 0.77 | DPP7 (0.56) | NPC1 |
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-1607090-B1 | Asimadoline for the treatment of irritable bowel syndrome | TIOGA PHARMACEUTICALS INC (US) | 2011-10-12 | — | — | EP | disclosed |
| EP-1607090-A1 | Asimadoline for the treatment of irritable bowel syndrome | MERCK PATENT GmbH (DE) | 2005-12-21 | — | — | EP | disclosed |
| EP-1073634-B1 | METHOD FOR PRODUCING ENANTIOMERICALLY PURE N-METHYL-N- (1S)-1-PHENYL- 2-((3S)- 3-HYDROXYPYRROLIDINE- 1-YL)ETHYL]- 2,2-DIPHENYL ACETAMIDE | MERCK PATENT GMBH (DE) | 2005-08-31 | — | — | EP | disclosed |
| US-6344566-B1 | AMIDATION AND REDUCTION AND CONVERSION WITH ACID; ASIMADOLINE | MERCK PATENT GMBH (DE) | 2002-02-05 | — | — | US | disclosed |
| EP-1073634-A1 | METHOD FOR PRODUCING ENANTIOMER-FREE N-METHYL-N- (1S)-1-PHENYL- 2-((3S)- 3-HYDROXYPYRROLIDINE- 1-YL)ETHYL]- 2,2-DIPHENYL ACETAMIDE | MERCK PATENT GmbH (DE) | 2001-02-07 | — | — | EP | disclosed |
| WO-1999054298-A1 | METHOD FOR PRODUCING ENANTIOMER-FREE N-METHYL-N- [(1S)-1-PHENYL- 2-((3S)- 3-HYDROXYPYRROLIDINE- 1-YL)ETHYL]- 2,2-DIPHENYL ACETAMIDE | MERCK PATENT GMBH (DE) | 1999-10-28 | — | — | WO | disclosed |