Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | MAOA | P21397 | 3/20 | 0.42 |
| ▸ | MAOB | P27338 | 3/20 | 0.42 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 4/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | KDM1A | O60341 | 2/20 | 0.38 |
| ▸ | CISD1 | Q9NZ45 | 2/20 | 0.37 |
| ▸ | PIM1 | P11309 | 1/20 | 0.37 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 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 SCHEMBL7798152 | 0.89 | ALDH1A1 (0.51) | ALDH1A1MAOAMAOBHSD17B3POLB | |
| Cyclohexylamine SCHEMBL8039363 | 0.85 | ALDH1A1 (0.47) | ALDH1A1MAOAMAOBHSD17B3POLB | |
| Cyclohexylamine SCHEMBL8039367 | 0.85 | ALDH1A1 (0.47) | ALDH1A1MAOAMAOBHSD17B3POLB | |
| 3-Hydroxybenzaldehyde SCHEMBL7798283 | 0.81 | CCNB2 (0.45) | ALDH1A1POLBMEN1KMT2A | |
| Cyclohexylamine SCHEMBL7800228 | 0.81 | TP53 (0.45) | ALDH1A1MAOAMAOBMEN1KMT2A | |
| Cyclohexylamine SCHEMBL7798072 | 0.81 | ALDH1A1 (0.46) | ALDH1A1MAOAMAOBPOLBKMT2A | |
| Lysine SCHEMBL8037738 | 0.80 | ALDH1A1 (0.42) | ALDH1A1MAOAMAOBPOLBMEN1 | |
| Lysine SCHEMBL8037742 | 0.80 | ALDH1A1 (0.42) | ALDH1A1MAOAMAOBPOLBMEN1 | |
| SCHEMBL29391648 | 0.80 | — | — | |
| SCHEMBL4290 | 0.80 | — | — |
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 |