Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.43 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | KDM1A | O60341 | 3/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 2/20 | 0.37 |
| ▸ | DRD2 | P14416 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 1/20 | 0.37 |
| ▸ | DRD5 | P21918 | 1/20 | 0.37 |
| ▸ | DRD3 | P35462 | 1/20 | 0.37 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| Cyclopentanamine SCHEMBL7792882 | 0.98 | ALDH1A1 (0.45) | ALDH1A1CYP2A6SMYD3MEN1KMT2A | |
| Cyclohexylamine SCHEMBL7799139 | 0.90 | SMYD3 (0.42) | ALDH1A1SMYD3MEN1KMT2ADRD2 | |
| Benzaldehyde SCHEMBL8035182 | 0.89 | ALDH1A1 (0.56) | ALDH1A1CYP2A6KDM1AKDM4ESMN1; SMN2 | |
| Cycloheptanamine SCHEMBL7792128 | 0.89 | ALDH1A1 (0.56) | ALDH1A1CYP2A6KDM1AKDM4ESMN1; SMN2 | |
| Biphenyl SCHEMBL27460605 | 0.83 | ALDH1A1 (0.45) | ALDH1A1SMYD3KDM1AMAOB | |
| Cyclohexylamine SCHEMBL7802895 | 0.82 | GRIK1 (0.41) | SMYD3DRD2DRD4 | |
| Cyclohexylamine SCHEMBL7802890 | 0.82 | GRIK1 (0.41) | SMYD3DRD2DRD4 | |
| Cycloheptanamine SCHEMBL7802529 | 0.82 | PARP10 (0.45) | ALDH1A1CYP2A6KMT2AKDM1AKDM4E | |
| Cyclohexylamine SCHEMBL7802185 | 0.82 | PARP10 (0.45) | ALDH1A1CYP2A6KMT2AKDM1AKDM4E | |
| Cyclohexylamine SCHEMBL7802070 | 0.81 | GRIK1 (0.40) | SMYD3DRD2DRD4 |
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 |