Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | CASP7 | P55210 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.30 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL736092 | 0.86 | POLB (0.39) | ALDH1A1L3MBTL1GAANPC1RAB9A | |
| SCHEMBL3413530 | 0.86 | ALDH1A1 (0.42) | ALDH1A1L3MBTL1GAANPC1RAB9A | |
| SCHEMBL4152232 | 0.81 | AKR1C1 (0.45) | ALDH1A1L3MBTL1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL4699835 | 0.74 | AKR1C1 (0.45) | MEN1KMT2ALMNAOPRM1OPRL1 | |
| SCHEMBL3134616 | 0.74 | MEN1 (0.38) | GAAMEN1KMT2AOPRM1OPRL1 | |
| SCHEMBL3406053 | 0.71 | NPC1 (0.40) | ALDH1A1GAANPC1RAB9ASMN1; SMN2 | |
| SCHEMBL23248029 | 0.70 | ALDH1A1 (0.39) | ALDH1A1L3MBTL1GAANPC1RAB9A | |
| SCHEMBL4768442 | 0.69 | HCAR3 (0.35) | ALDH1A1L3MBTL1GAANPC1RAB9A | |
| SCHEMBL6036843 | 0.68 | AKR1C1 (0.52) | SMN1; SMN2MEN1KMT2ALMNAOPRM1 | |
| SCHEMBL1313846 | 0.68 | AKR1C1 (0.42) | GAA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2044016-A2 | 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1-AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM | Grünenthal GmbH (DE) | 2009-04-08 | — | — | EP | disclosed |
| WO-2008009415-A2 | 4-HETEROARYL-SUBSTITUTED 1-AMINOCYCLOHEXANE-1- AND CYCLOHEXENE-1-DERIVATIVES HAVING EFFECTS ON THE OPIOD RECEPTOR SYSTEM | Grünenthal GmbH (DE) | 2008-01-24 | — | — | WO | disclosed |