Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EGFR | P00533 | 5/20 | 0.45 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 3/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.38 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ESR1 | P03372 | 2/20 | 0.37 |
| ▸ | ABL1 | P00519 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | BCR | P11274 | 1/20 | 0.37 |
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 SCHEMBL7798500 | 0.89 | MEN1 (0.41) | EGFRCYP1A1CYP1B1MEN1KMT2A | |
| Anisaldehyde SCHEMBL7800096 | 0.83 | ALDH1A1 (0.63) | KMT2AALDH1A1CYP2A6TRPM8CYP1A2 | |
| SCHEMBL5610574 | 0.80 | CYP1A1 (0.42) | EGFRCYP1A1CYP1B1MEN1KMT2A | |
| SCHEMBL228003 | 0.80 | CYP1A1 (0.64) | EGFRCYP1A1CYP1B1MEN1KMT2A | |
| Cyclohexylamine SCHEMBL7800354 | 0.79 | NPC1 (0.50) | EGFRALDH1A1CYP2A6TRPM8LMNA | |
| Water SCHEMBL28227114 | 0.78 | CYP1A1 (0.61) | EGFRCYP1A1CYP1B1MEN1KMT2A | |
| SCHEMBL1663786 | 0.75 | ALDH1A1 (0.58) | EGFRCYP1A1CYP1B1MEN1KMT2A | |
| Cyclohexylamine SCHEMBL7792109 | 0.74 | ALDH1A1 (0.50) | MEN1KMT2AALDH1A1TSHRTTR | |
| Cyclohexylamine SCHEMBL7800485 | 0.74 | MAOA (0.56) | CYP1A1MEN1KMT2AALDH1A1CYP19A1 | |
| Formic Acid Methyl Ester SCHEMBL28071788 | 0.74 | CYP1A1 (0.56) | EGFRCYP1A1CYP1B1MEN1KMT2A |
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 |