Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | VCAM1 | P19320 | 3/20 | 0.70 |
| ▸ | MAPT | P10636 | 9/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.47 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.47 |
| ▸ | ABAT | P80404 | 1/20 | 0.47 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.43 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.42 |
| ▸ | HTT | P42858 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MITF | O75030 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Cyclohexylamine SCHEMBL7801777 | 0.91 | VCAM1 (0.58) | VCAM1MAPTMAPK1RAB9AALDH1A1 | |
| Cyclohexylamine SCHEMBL8035231 | 0.87 | VCAM1 (0.53) | VCAM1MAPTMAPK1RAB9AALDH1A1 | |
| Cyclohexylamine SCHEMBL8035226 | 0.87 | VCAM1 (0.53) | VCAM1MAPTMAPK1RAB9AALDH1A1 | |
| SCHEMBL560001 | 0.84 | VCAM1 (1.00) | VCAM1MAPTMAPK1RAB9AALDH1A1 | |
| Cyclohexylamine SCHEMBL7801795 | 0.81 | ALDH5A1 (0.54) | VCAM1MAPTRAB9AALDH1A1ALDH1A3 | |
| Cyclohexylamine SCHEMBL7802988 | 0.81 | ALDH1A1 (0.63) | VCAM1MAPK1RAB9AALDH1A1ALDH1A3 | |
| SCHEMBL7162833 | 0.79 | VCAM1 (0.81) | VCAM1MAPTMAPK1RAB9AALDH1A1 | |
| Cyclohexylamine SCHEMBL7792901 | 0.77 | ERN1 (0.48) | MAPTALDH1A1HTTGAASMN1; SMN2 | |
| 3-Nitrobenzaldehyde SCHEMBL7793079 | 0.75 | NFE2L2 (0.49) | MAPTRAB9AALDH1A1HTT | |
| Cyclohexylamine SCHEMBL7798582 | 0.74 | ALDH5A1 (0.46) | VCAM1MAPTRAB9AALDH1A1ALDH1A3 |
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-1076649-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 2001-02-21 | — | — | EP | disclosed |
| WO-1999055679-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 1999-11-04 | — | — | WO | disclosed |