Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | GRM4 | Q14833 | 3/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | CNR2 | P34972 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.32 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.32 |
| ▸ | AHR | P35869 | 1/20 | 0.31 |
| ▸ | ERN1 | O75460 | 1/20 | 0.31 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.31 |
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 SCHEMBL7798494 | 0.88 | GRN (0.36) | MEN1KMT2AGRM4CNR1CNR2 | |
| Cyclohexylamine SCHEMBL7802988 | 0.77 | ALDH1A1 (0.63) | KMT2AHSD17B10ALDH1A1ALDH1A3 | |
| SCHEMBL42392 | 0.77 | HSD17B10 (0.52) | HSD17B10ALDH1A1AHRERN1 | |
| Hydrochloric Acid SCHEMBL28632193 | 0.75 | HSD17B10 (0.50) | HSD17B10ALDH1A1AHRERN1 | |
| Cyclohexylamine SCHEMBL7801568 | 0.74 | EGFR (0.45) | MEN1KMT2AALDH1A1AHR | |
| Cyclohexylamine SCHEMBL7792374 | 0.74 | EPHX1 (0.36) | CNR1EPHX1 | |
| Cycloheptanamine SCHEMBL7801780 | 0.74 | EPHX1 (0.36) | CNR1EPHX1 | |
| Cyclohexylamine SCHEMBL7798674 | 0.74 | SMN1; SMN2 (0.45) | MEN1KMT2AALDH1A1ALDH1A3 | |
| SCHEMBL18002788 | 0.74 | PLAU (0.38) | HSD17B10CNR1AHR | |
| Cyclohexylamine SCHEMBL7793152 | 0.74 | CYP2C9 (0.40) | ALDH1A1ALDH1A3 |
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 |