Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.56 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.41 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | KDM1A | O60341 | 2/20 | 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 | |
|---|---|---|---|---|
| Cycloheptanamine SCHEMBL7792128 | 1.00 | ALDH1A1 (0.56) | ALDH1A1CYP2A6TRPM8HSP90AA1SMN1; SMN2 | |
| Cyclohexylamine SCHEMBL7798264 | 0.89 | ALDH1A1 (0.43) | ALDH1A1CYP2A6SMN1; SMN2KDM4EMAPT | |
| Benzaldehyde SCHEMBL7798223 | 0.88 | ALDH1A1 (0.44) | ALDH1A1CYP2A6TRPM8SMN1; SMN2KDM4E | |
| Cyclopentanamine SCHEMBL7792882 | 0.87 | ALDH1A1 (0.45) | ALDH1A1CYP2A6MAPTKDM1A | |
| Cycloheptanamine SCHEMBL7802529 | 0.85 | PARP10 (0.45) | ALDH1A1CYP2A6SMN1; SMN2KDM4EMAPT | |
| Cyclohexylamine SCHEMBL7802185 | 0.85 | PARP10 (0.45) | ALDH1A1CYP2A6SMN1; SMN2KDM4EMAPT | |
| Benzaldehyde SCHEMBL8035694 | 0.82 | KIF11 (0.42) | ALDH1A1CYP2A6TRPM8THRB | |
| Cyclohexylamine SCHEMBL7802609 | 0.81 | MAOB (0.46) | POLB | |
| Cycloheptanamine SCHEMBL7801354 | 0.81 | MAOB (0.46) | POLB | |
| Cyclohexylamine SCHEMBL7797971 | 0.81 | CYP2A6 (0.59) | ALDH1A1CYP2A6TRPM8SMN1; SMN2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-106496062-A | A kind of PET developers and preparation method thereof | 复旦大学附属华山医院 | 2017-03-15 | — | — | CN | 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 |