Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.40 |
| ▸ | RAB9A | P51151 | 3/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 4/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.37 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.37 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3413550 | 0.84 | OPRM1 (0.40) | HPGDTSHRALDH1A1GAAOPRM1 | |
| SCHEMBL3413530 | 0.80 | ALDH1A1 (0.42) | NPC1RAB9AHPGDTSHRALDH1A1 | |
| SCHEMBL4353815 | 0.79 | HSD11B1 (0.48) | NPC1RAB9ACA12CA9HPGD | |
| SCHEMBL6938953 | 0.73 | OPRM1 (0.45) | RAB9ATSHRALDH1A1SMN1; SMN2KMT2A | |
| SCHEMBL4152236 | 0.71 | ALDH1A1 (0.34) | NPC1RAB9ATSHRALDH1A1GAA | |
| SCHEMBL6132327 | 0.70 | OPRM1 (0.47) | TSHRALDH1A1GAAOPRM1OPRL1 | |
| SCHEMBL3413377 | 0.69 | SLC6A4 (0.47) | TSHRALDH1A1SMN1; SMN2C5AR1OPRM1 | |
| SCHEMBL3232238 | 0.69 | CYP2C19 (0.46) | TSHRALDH1A1KMT2AMEN1 | |
| Oxalic Acid SCHEMBL7908190 | 0.68 | C5AR1 (0.54) | TSHRC5AR1OPRM1LMNA | |
| SCHEMBL1668104 | 0.68 | LMNA (0.56) | NPC1RAB9AALDH1A1GAASMN1; SMN2 |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2502907-B1 | Substituted 4-aminocyclohexane derivatives | GRUENENTHAL GMBH (DE) | 2018-08-29 | — | — | EP | disclosed |
| EP-2518052-B1 | Substituted 4-aminocyclohexane derivatives | GRUENENTHAL GMBH (DE) | 2017-12-20 | — | — | EP | disclosed |
| EP-2260021-B1 | SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES | GRUENENTHAL GMBH (DE) | 2014-04-23 | — | — | EP | disclosed |
| EP-2518052-A1 | Substituted 4-aminocyclohexane derivatives | Grünenthal GmbH (DE) | 2012-10-31 | — | — | EP | disclosed |
| EP-2502907-A1 | Substituted 4-aminocyclohexane derivatives | Grünenthal GmbH (DE) | 2012-09-26 | — | — | EP | disclosed |
| EP-2260021-A1 | SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES | Grünenthal GmbH (DE) | 2010-12-15 | — | — | EP | disclosed |
| WO-2009118168-A1 | SUBSTITUTED 4-AMINOCYCLOHEXANE DERIVATIVES | Grünenthal GmbH (DE) | 2009-10-01 | — | — | WO | disclosed |