Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.73 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.73 |
| ▸ | POLB | P06746 | 1/20 | 0.73 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.70 |
| ▸ | CYP2A13 | Q16696 | 2/20 | 0.68 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.66 |
| ▸ | RAB9A | P51151 | 1/20 | 0.66 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.66 |
| ▸ | HTT | P42858 | 1/20 | 0.64 |
| ▸ | CXCR4 | P61073 | 3/20 | 0.62 |
| ▸ | GAA | P10253 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | ATM | Q13315 | 2/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.57 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL3210628 | 1.00 | ALDH1A1 (0.73) | ALDH1A1KDM4EPOLBSIGMAR1CYP2A13 | |
| Hydrochloric Acid SCHEMBL16825204 | 0.98 | ALDH1A1 (0.71) | ALDH1A1KDM4EPOLBSIGMAR1CYP2A13 | |
| SCHEMBL9417737 | 0.98 | SIGMAR1 (0.72) | ALDH1A1KDM4EPOLBSIGMAR1CYP2A13 | |
| Hydrochloric Acid SCHEMBL11467058 | 0.96 | SIGMAR1 (0.70) | ALDH1A1KDM4EPOLBSIGMAR1CYP2A13 | |
| SCHEMBL23851311 | 0.94 | SIGMAR1 (0.72) | ALDH1A1KDM4EPOLBSIGMAR1CYP2A13 | |
| SCHEMBL11360607 | 0.90 | SIGMAR1 (0.85) | ALDH1A1KDM4ESIGMAR1CYP2A13PLA2G1B | |
| SCHEMBL11194277 | 0.85 | ALDH1A1 (0.73) | ALDH1A1KDM4EPOLBRAB9AHTT | |
| SCHEMBL29941203 | 0.85 | ALDH1A1 (1.00) | ALDH1A1KDM4EPOLBSIGMAR1CYP2A13 | |
| SCHEMBL17523584 | 0.84 | ALDH1A1 (0.69) | ALDH1A1KDM4EPOLBSIGMAR1CYP2A13 | |
| SCHEMBL2095997 | 0.83 | SIGMAR1 (0.58) | ALDH1A1KDM4EPOLBSIGMAR1CYP2A13 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1080078-B1 | HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS | SCIOS INC (US) | 2006-02-01 | — | — | EP | disclosed |