Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.59 |
| ▸ | ABAT | P80404 | 1/20 | 0.59 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MIF | P14174 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | STS | P08842 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | F3 | P13726 | 1/20 | 0.37 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | RAB9A | P51151 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| 4-Hydroxybenzaldehyde SCHEMBL7798048 | 0.89 | ALDH5A1 (0.47) | ALDH5A1ABATKMT2AMIFGAA | |
| Hydroquinone SCHEMBL11576656 | 0.84 | KMT2A (0.45) | KMT2AMIFALDH1A1KDM4EMAPT | |
| 4-Hydroxybenzaldehyde SCHEMBL8037276 | 0.83 | ALDH5A1 (0.41) | ALDH5A1ABATKMT2AMIFALDH1A1 | |
| 4-Hydroxybenzaldehyde SCHEMBL8037281 | 0.83 | ALDH5A1 (0.41) | ALDH5A1ABATKMT2AMIFALDH1A1 | |
| Cyclohexylamine SCHEMBL7797971 | 0.81 | CYP2A6 (0.59) | KMT2AALDH1A1KDM4ESMN1; SMN2MAPT | |
| Cyclohexylamine SCHEMBL7792798 | 0.81 | CYP1A2 (0.43) | KMT2AALDH1A1KDM4ESMN1; SMN2MEN1 | |
| Cyclohexylamine SCHEMBL7800230 | 0.81 | ALDH1A1 (0.41) | KMT2AALDH1A1KDM4ESMN1; SMN2MAPT | |
| Benzaldehyde SCHEMBL8035182 | 0.81 | ALDH1A1 (0.56) | GAAALDH1A1KDM4ESMN1; SMN2MAPT | |
| Cycloheptanamine SCHEMBL7792128 | 0.81 | ALDH1A1 (0.56) | GAAALDH1A1KDM4ESMN1; SMN2MAPT | |
| Cyclohexylamine SCHEMBL7802525 | 0.81 | ALDH1A1 (0.63) | KMT2AGAAALDH1A1MAPTSTS |
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 3 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 |
| US-6127381-A | A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY | LION BIOSCIENCE AG (DE) | 2000-10-03 | — | — | US | disclosed |
| WO-1999055679-A1 | ISOQUINOLINE COMPOUND MELANOCORTIN RECEPTOR LIGANDS AND METHODS OF USING SAME | TREGA BIOSCIENCES, INC. (US) | 1999-11-04 | — | — | WO | disclosed |