Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD2 | Q9NRG4 | 3/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.30 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3387131 | 0.83 | SMYD2 (0.36) | SMYD2CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL31298376 | 0.79 | SMYD2 (0.38) | SMYD2ALDH1A1HPGDCYP3A4HTT | |
| SCHEMBL31298390 | 0.77 | SMYD2 (0.41) | SMYD2CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL263781 | 0.77 | ALDH1A1 (0.39) | ALDH1A1HPGDOPRK1HSD11B1 | |
| SCHEMBL25364479 | 0.76 | RIPK1 (0.42) | SMYD2CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL18587707 | 0.76 | RIPK1 (0.42) | SMYD2CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL25365732 | 0.76 | RIPK1 (0.42) | SMYD2CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL2146189 | 0.76 | RIPK1 (0.42) | SMYD2CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL18587235 | 0.75 | SMYD2 (0.36) | SMYD2CYP3A4HTTSMN1; SMN2 | |
| SCHEMBL2795827 | 0.75 | SMYD2 (0.36) | SMYD2ALDH1A1CYP3A4HTTSMN1; SMN2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8133908-B2 | Heteroaryl derivatives of N-{[(1S,4S,6S)-3-(2-pyridinylcarbonyl)-3-azabicyclo[4.1.0]hept-4-yl]methyl}-2-amine | GLAXO GROUP LIMITED (GB) | 2012-03-13 | — | — | US | disclosed |