Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 9/20 | 0.42 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.36 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.36 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | ENPP2 | Q13822 | 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 SCHEMBL7797961 | 0.89 | KMT2A (0.42) | KMT2APTGS2MAOBEPHX1EPHX2 | |
| Cyclohexylamine SCHEMBL8025602 | 0.84 | EPHX1 (0.41) | KMT2APTGS2MAOBEPHX1EPHX2 | |
| Cyclohexylamine SCHEMBL8025607 | 0.84 | EPHX1 (0.41) | KMT2APTGS2MAOBEPHX1EPHX2 | |
| SCHEMBL607349 | 0.80 | ENPP2 (0.52) | PTGS2MAOBALDH1A1CYP1A2AKR1C3 | |
| Lysine SCHEMBL8041500 | 0.80 | GSR (0.41) | KMT2APTGS2MAOBEPHX1AKR1C3 | |
| Lysine SCHEMBL8041501 | 0.80 | GSR (0.41) | KMT2APTGS2MAOBEPHX1AKR1C3 | |
| Cyclohexylamine SCHEMBL7797971 | 0.80 | CYP2A6 (0.59) | KMT2AEPHX1ALDH1A1CYP1A2 | |
| Cyclohexylamine SCHEMBL7800230 | 0.76 | ALDH1A1 (0.41) | KMT2AALDH1A1 | |
| Cyclohexylamine SCHEMBL7792798 | 0.76 | CYP1A2 (0.43) | KMT2AMAOBEPHX1ALDH1A1CYP1A2 | |
| 4-Hydroxybenzaldehyde SCHEMBL7798433 | 0.76 | ALDH5A1 (0.59) | KMT2AEPHX1ALDH1A1 |
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 |