Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.46 |
| ▸ | HTR2B | P41595 | 1/20 | 0.45 |
| ▸ | HTR5A | P47898 | 1/20 | 0.45 |
| ▸ | TDO2 | P48775 | 1/20 | 0.45 |
| ▸ | CKS1B | P61024 | 1/20 | 0.45 |
| ▸ | SKP1 | P63208 | 1/20 | 0.45 |
| ▸ | SKP2 | Q13309 | 1/20 | 0.45 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.44 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.44 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.44 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL460510 | 1.00 | ALOX15 (0.50) | ALOX15NOTUMALDH1A1KDM4ECYP3A4 | |
| SCHEMBL30021764 | 0.97 | ALOX15 (0.48) | ALOX15NOTUMALDH1A1KDM4ECYP3A4 | |
| Hydrochloric Acid SCHEMBL4703144 | 0.97 | ALOX15 (0.48) | ALOX15NOTUMALDH1A1KDM4ECYP3A4 | |
| SCHEMBL14525863 | 0.94 | ALDH1A1 (0.50) | ALOX15NOTUMALDH1A1KDM4ECYP3A4 | |
| SCHEMBL14525924 | 0.94 | ALDH1A1 (0.50) | ALOX15NOTUMALDH1A1KDM4ECYP3A4 | |
| Pyridine SCHEMBL28393899 | 0.89 | NOTUM (0.52) | ALOX15NOTUMALDH1A1KDM4ECYP3A4 | |
| SCHEMBL12854113 | 0.87 | ALDH1A1 (0.56) | ALOX15NOTUMALDH1A1KDM4ECYP3A4 | |
| SCHEMBL30801466 | 0.85 | CYP1A2 (0.61) | ALDH1A1KDM4ETDO2ADORA2ANPC1 | |
| SCHEMBL18449598 | 0.85 | CYP3A4 (0.61) | ALOX15ALDH1A1KDM4ECYP3A4MAPT | |
| SCHEMBL28906692 | 0.85 | CYP1A2 (0.61) | ALDH1A1KDM4ETDO2ADORA2ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-1988896-A | Use of compounds active on the sigma receptor for the treatment of mechanical allodynia | ESTEVE LABOR DR (ES) | 2007-06-27 | — | — | CN | disclosed |