Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.63 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.63 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CTSE | P14091 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | BACE1 | P56817 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.40 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.40 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.40 |
| ▸ | SENP6 | Q9GZR1 | 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 SCHEMBL7801568 | 0.83 | EGFR (0.45) | ALDH1A1CYP2A6TRPM8KMT2ACYP1A2 | |
| Cyclohexylamine SCHEMBL7800354 | 0.82 | NPC1 (0.50) | ALDH1A1CYP2A6TRPM8RAB9ANPC1 | |
| Cyclohexylamine SCHEMBL7797971 | 0.81 | CYP2A6 (0.59) | ALDH1A1CYP2A6TRPM8RAB9ANPC1 | |
| Cyclohexylamine SCHEMBL7802185 | 0.81 | PARP10 (0.45) | ALDH1A1CYP2A6KMT2A | |
| Cycloheptanamine SCHEMBL7802529 | 0.81 | PARP10 (0.45) | ALDH1A1CYP2A6KMT2A | |
| Cyclohexylamine SCHEMBL7801607 | 0.80 | ALDH1A1 (0.50) | ALDH1A1KMT2ACYP1A2CYP2C19 | |
| Cycloheptanamine SCHEMBL7797733 | 0.80 | ALDH1A1 (0.50) | ALDH1A1KMT2ACYP1A2CYP2C19 | |
| Anisaldehyde SCHEMBL717471 | 0.80 | ALDH1A1 (1.00) | ALDH1A1CYP2A6CYP1A2CYP3A4ALDH1A3 | |
| Anisaldehyde SCHEMBL1100 | 0.80 | ALDH1A1 (1.00) | ALDH1A1CYP2A6CYP1A2CYP3A4ALDH1A3 | |
| Anisaldehyde SCHEMBL7242066 | 0.79 | ALDH1A1 (0.68) | ALDH1A1CYP2A6TRPM8RAB9ANPC1 |
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 3 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 |
| US-6127381-A | A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY | LION BIOSCIENCE AG (DE) | 2000-10-03 | — | — | US | disclosed |
| WO-1999055679-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 1999-11-04 | — | — | WO | disclosed |