Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 3/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
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 SCHEMBL7802264 | 0.91 | GAA (0.47) | ERN1ALDH1A1HTTHPGDMAPT | |
| Cyclohexylamine SCHEMBL8036033 | 0.86 | GAA (0.43) | ERN1ALDH1A1HTTHPGDMAPT | |
| Cyclohexylamine SCHEMBL8036036 | 0.86 | GAA (0.43) | ERN1ALDH1A1HTTHPGDMAPT | |
| SCHEMBL307134 | 0.83 | ERN1 (0.65) | ERN1ALDH1A1HSD17B10HTTAMY1A | |
| Cyclohexylamine SCHEMBL7792908 | 0.77 | VCAM1 (0.70) | ALDH1A1HTTMAPTSMN1; SMN2GAA | |
| 3-Nitrobenzaldehyde SCHEMBL7793079 | 0.76 | NFE2L2 (0.49) | ALDH1A1HTTHPGDAMY1AMAPT | |
| Dimethylformamide SCHEMBL27570110 | 0.75 | ERN1 (0.54) | ERN1ALDH1A1HSD17B10HTTAMY1A | |
| Glycine SCHEMBL8213987 | 0.74 | ERN1 (0.54) | ERN1ALDH1A1HSD17B10HTTAMY1A | |
| SCHEMBL6926453 | 0.72 | ERN1 (0.48) | ERN1ALDH1A1HTTHPGDMAPT | |
| SCHEMBL1195413 | 0.72 | HSD17B10 (0.62) | ERN1ALDH1A1HSD17B10AMY1AMAPT |
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 |