Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.35 |
| ▸ | DRD3 | P35462 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | BLM | P54132 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.33 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.33 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.33 |
| ▸ | SRC | P12931 | 1/20 | 0.32 |
| ▸ | NOS3 | P29474 | 2/20 | 0.32 |
| ▸ | NOS1 | P29475 | 2/20 | 0.32 |
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 SCHEMBL7802045 | 0.89 | ERN1 (0.39) | ERN1NPC1MAPTRAB9ASMN1; SMN2 | |
| Cyclohexylamine SCHEMBL7798049 | 0.87 | MAPT (0.46) | ERN1NPC1MAPTRAB9ASMN1; SMN2 | |
| Cyclohexylamine SCHEMBL7802611 | 0.81 | DRD2 (0.41) | ERN1NPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL154794 | 0.80 | ERN1 (0.61) | ERN1SMN1; SMN2MEN1KMT2ALMNA | |
| Cyclohexylamine SCHEMBL7798273 | 0.78 | KMT2A (0.47) | NPC1MAPTRAB9ASMN1; SMN2DRD2 | |
| Cyclohexylamine SCHEMBL7801529 | 0.77 | NPC1 (0.44) | ERN1NPC1MAPTRAB9ASMN1; SMN2 | |
| Cyclohexylamine SCHEMBL8035662 | 0.76 | EPHX2 (0.36) | ERN1NPC1MAPTRAB9ASMN1; SMN2 | |
| Cyclohexylamine SCHEMBL7798417 | 0.74 | MEN1 (0.42) | MAPTRAB9ASMN1; SMN2MEN1KMT2A | |
| SCHEMBL268584 | 0.73 | PTGS2 (0.41) | ERN1MEN1KMT2ALMNATHRB | |
| Salicyladehyde SCHEMBL7798137 | 0.73 | TRIM24 (0.62) | ERN1NPC1MAPTRAB9AMEN1 |
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 |