Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | PBRM1 | Q86U86 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MDM4 | O15151 | 1/20 | 0.37 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 4/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | DRD2 | P14416 | 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 SCHEMBL7798411 | 0.90 | RAB9A (0.38) | KMT2AALDH1A1TDP1MEN1PBRM1 | |
| Cyclohexylamine SCHEMBL7802611 | 0.89 | DRD2 (0.41) | KMT2AALDH1A1SMN1; SMN2MAPTRAB9A | |
| Cyclohexylamine SCHEMBL8025597 | 0.85 | GRIK1 (0.39) | KMT2AALDH1A1TDP1MEN1PBRM1 | |
| Cyclohexylamine SCHEMBL8025596 | 0.85 | GRIK1 (0.39) | KMT2AALDH1A1TDP1MEN1PBRM1 | |
| SCHEMBL154430 | 0.82 | ALDH1A1 (0.70) | KMT2AALDH1A1TDP1MEN1CYP1A2 | |
| Lysine SCHEMBL8025635 | 0.81 | GSR (0.40) | TDP1 | |
| Lysine SCHEMBL8025637 | 0.81 | GSR (0.40) | TDP1 | |
| Cyclohexylamine SCHEMBL7802934 | 0.78 | ALDH1A1 (0.36) | KMT2AALDH1A1SMN1; SMN2MAPTRAB9A | |
| Cyclohexylamine SCHEMBL7798543 | 0.78 | ERN1 (0.43) | KMT2ATDP1MEN1SMN1; SMN2LMNA | |
| Cyclohexylamine SCHEMBL7798049 | 0.74 | MAPT (0.46) | KMT2AALDH1A1TDP1MEN1SMN1; SMN2 |
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 |