Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.36 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.34 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.34 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.34 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.34 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.34 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.33 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.33 |
| ▸ | TAS1R2 | Q8TE23 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
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 SCHEMBL7798833 | 0.89 | ALDH1A1 (0.38) | SMN1; SMN2ALDH1A1NPC1RAB9ALMNA | |
| Cyclohexylamine SCHEMBL7792102 | 0.82 | ALDH1A1 (0.49) | ALDH1A1KDM1AALDH1A3MEN1KMT2A | |
| Cyclohexylamine SCHEMBL7800230 | 0.81 | ALDH1A1 (0.41) | SMN1; SMN2ALDH1A1NPC1RAB9ALMNA | |
| Hydrazine SCHEMBL27687525 | 0.80 | ALDH1A1 (0.48) | SMN1; SMN2ALDH1A1RAB9ANFE2L2KDM4E | |
| SCHEMBL29389102 | 0.80 | ALDH1A1 (0.52) | SMN1; SMN2ALDH1A1RAB9ANFE2L2KDM4E | |
| SCHEMBL48607 | 0.80 | ALDH1A1 (0.52) | SMN1; SMN2ALDH1A1RAB9ANFE2L2KDM4E | |
| Cyclohexylamine SCHEMBL7800228 | 0.79 | TP53 (0.45) | SMN1; SMN2ALDH1A1NPC1RAB9ANFE2L2 | |
| SCHEMBL4808094 | 0.78 | ALDH1A1 (0.50) | SMN1; SMN2ALDH1A1RAB9ANFE2L2KDM4E | |
| Cyclohexylamine SCHEMBL7798128 | 0.77 | DPEP1 (0.45) | SMN1; SMN2ALDH1A1NPC1RAB9AHDAC3 | |
| Cyclohexylamine SCHEMBL7802988 | 0.77 | ALDH1A1 (0.63) | SMN1; SMN2ALDH1A1NPC1RAB9AALDH1A3 |
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 |