Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.59 |
| ▸ | TRPM8 | Q7Z2W7 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 4/20 | 0.41 |
| ▸ | RAB9A | P51151 | 4/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.37 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.36 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.36 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
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 SCHEMBL7800230 | 0.81 | ALDH1A1 (0.41) | NPC1RAB9ASMN1; SMN2MAPTKMT2A | |
| Cyclohexylamine SCHEMBL7792798 | 0.81 | CYP1A2 (0.43) | NPC1RAB9ASMN1; SMN2KMT2AALDH1A1 | |
| 4-Hydroxybenzaldehyde SCHEMBL7798433 | 0.81 | ALDH5A1 (0.59) | NPC1RAB9ASMN1; SMN2MAPTKMT2A | |
| Benzaldehyde SCHEMBL8035182 | 0.81 | ALDH1A1 (0.56) | CYP2A6TRPM8SMN1; SMN2MAPTALDH1A1 | |
| Cycloheptanamine SCHEMBL7792128 | 0.81 | ALDH1A1 (0.56) | CYP2A6TRPM8SMN1; SMN2MAPTALDH1A1 | |
| Cyclohexylamine SCHEMBL7802774 | 0.81 | ALDH1A1 (0.63) | CYP2A6TRPM8NPC1RAB9ASMN1; SMN2 | |
| Cuminaldehyde SCHEMBL7801634 | 0.81 | TYR (0.63) | NPC1RAB9ASMN1; SMN2MAPTALDH1A1 | |
| Cyclohexylamine SCHEMBL7798634 | 0.81 | CYP2A6 (0.63) | CYP2A6TRPM8NPC1RAB9ASMN1; SMN2 | |
| Anisaldehyde SCHEMBL7800096 | 0.81 | ALDH1A1 (0.63) | CYP2A6TRPM8NPC1RAB9AKMT2A | |
| Cyclohexylamine SCHEMBL7798522 | 0.80 | KMT2A (0.43) | KMT2AALDH1A1CYP1A2EPHX1 |
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 |