Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRL1 | P41146 | 8/20 | 0.66 |
| ▸ | OPRM1 | P35372 | 7/20 | 0.66 |
| ▸ | CDK4 | P11802 | 2/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.45 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | ITGB2 | P05107 | 1/20 | 0.44 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.44 |
| ▸ | ITGAL | P20701 | 1/20 | 0.44 |
| ▸ | KDM1A | O60341 | 1/20 | 0.44 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | CCND1 | P24385 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL27588631 | 0.99 | OPRL1 (0.67) | OPRL1OPRM1CDK4HPGDHTT | |
| SCHEMBL5163884 | 0.90 | OPRL1 (0.65) | OPRL1OPRM1ALDH1A1ITGB2ICAM1 | |
| SCHEMBL6729772 | 0.90 | OPRL1 (0.65) | OPRL1OPRM1ALDH1A1ITGB2ICAM1 | |
| SCHEMBL6551984 | 0.90 | OPRL1 (0.65) | OPRL1OPRM1ALDH1A1ITGB2ICAM1 | |
| Hydrochloric Acid SCHEMBL6729807 | 0.90 | OPRL1 (0.64) | OPRL1OPRM1ALDH1A1ITGB2ICAM1 | |
| Hydrochloric Acid SCHEMBL6729815 | 0.90 | OPRL1 (0.64) | OPRL1OPRM1ALDH1A1ITGB2ICAM1 | |
| Hydrochloric Acid SCHEMBL27588632 | 0.89 | OPRL1 (0.70) | OPRL1OPRM1HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL27606524 | 0.89 | OPRL1 (0.60) | OPRL1OPRM1CDK4ITGB2ICAM1 | |
| SCHEMBL5164576 | 0.85 | OPRL1 (0.63) | OPRL1OPRM1KMT2AMEN1MAPT | |
| SCHEMBL4125842 | 0.85 | OPRL1 (0.63) | OPRL1OPRM1RECQLITGB2ICAM1 |
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-1533374-B | Substitutled cyclohexane-1,4-diamine derivatives | GRUENETHAL GMBH | 2013-08-21 | — | — | CN | disclosed |
| CN-1533374-A | Substitutled cyclohexane-1,4-diamine derivatives | — | 2004-09-29 | — | — | CN | disclosed |