Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.44 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.43 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CACNA1F | O60840 | 1/20 | 0.41 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.41 |
| ▸ | CACNA1D | Q01668 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL16377139 | 0.81 | ALDH1A1 (0.54) | ALDH1A1CYP3A4CYP2C9CYP2C19IDO1 | |
| SCHEMBL27780994 | 0.80 | USP2 (0.55) | ALDH1A1CYP2C9CYP2C19IDO1MAPT | |
| SCHEMBL699106 | 0.80 | IDO1 (0.48) | ALDH1A1CYP2C9CYP2C19IDO1MAPT | |
| SCHEMBL14609116 | 0.77 | BRD4 (0.40) | ALDH1A1CYP3A4CYP2C9CYP2C19IDO1 | |
| SCHEMBL14547140 | 0.75 | ALDH1A1 (0.44) | ALDH1A1CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL734639 | 0.75 | IDO1 (0.47) | ALDH1A1IDO1MAPTLMNA | |
| SCHEMBL18722720 | 0.73 | MMP8 (0.52) | ALDH1A1CYP3A4CYP2C9CYP2C19MMP8 | |
| SCHEMBL4507525 | 0.72 | AKR1B1 (0.51) | ALDH1A1CYP3A4CYP2C9CYP2C19MAPT | |
| SCHEMBL13234058 | 0.72 | ALDH1A1 (0.43) | ALDH1A1MAPTGLO1KDM4ELMNA | |
| 5-Fluoroisatin SCHEMBL734148 | 0.72 | MAOB (0.41) | ALDH1A1IDO1MAPTGSK3BLMNA |
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 |
|---|---|---|---|---|---|---|---|
| CN-101516844-B | 4-heteroaryl substituted 1-aminocyclohexane-1-and cyclohexene-1-derivatives having activity on opioid receptor systems | GRUENENTHAL GMBH | 2013-12-11 | — | — | CN | disclosed |
| CN-101516844-A | 4-heteroaryl substituted 1-aminocyclohexane-1-and cyclohexene-1-derivatives having activity on opioid receptor systems | GRUENENTHAL GMBH (DE) | 2009-08-26 | — | — | CN | disclosed |