Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIT | P10721 | 1/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | ATR | Q13535 | 1/20 | 0.35 |
| ▸ | NTRK1 | P04629 | 8/20 | 0.34 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | KMO | O15229 | 1/20 | 0.33 |
| ▸ | RBP4 | P02753 | 1/20 | 0.33 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.33 |
| ▸ | CSNK1D | P48730 | 1/20 | 0.33 |
| ▸ | CSNK1E | P49674 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20355588 | 0.88 | HDAC1 (0.34) | KITHDAC1ATRNTRK1CHRM4 | |
| SCHEMBL14897358 | 0.87 | F2 (0.34) | KITHDAC1ATRNTRK1CHRM4 | |
| SCHEMBL14896760 | 0.82 | TYK2 (0.43) | ATRNTRK1KMO | |
| SCHEMBL14896789 | 0.81 | GRM5 (0.40) | ATRNTRK1KMOCSNK1DCSNK1E | |
| SCHEMBL14897468 | 0.81 | NPC1 (0.36) | HDAC1ATRNTRK1CHRM4KMO | |
| SCHEMBL18654415 | 0.81 | TP53 (0.36) | HDAC1ATRNTRK1CHRM4CSNK1D | |
| SCHEMBL14897465 | 0.81 | HDAC1 (0.35) | KITHDAC1ATRNTRK1CHRM4 | |
| SCHEMBL14881418 | 0.80 | KMO (0.46) | ATRNTRK1CHRM4KMORBP4 | |
| SCHEMBL14881482 | 0.80 | NPC1 (0.37) | HDAC1ATRNTRK1CHRM4KMO | |
| SCHEMBL14881611 | 0.80 | NTRK1 (0.39) | HDAC1ATRNTRK1KMOCSNK1D |
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-2768509-B1 | SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2017-03-22 | — | — | EP | disclosed |