Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK5 | Q00535 | 1/20 | 0.33 |
| ▸ | CDK5R1 | Q15078 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
| ▸ | HTR2C | P28335 | 1/20 | 0.31 |
| ▸ | PRKDC | P78527 | 1/20 | 0.31 |
| ▸ | ATM | Q13315 | 1/20 | 0.31 |
| ▸ | ATR | Q13535 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.30 |
| ▸ | FAAH | O00519 | 1/20 | 0.30 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | LRRK2 | Q5S007 | 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 | |
|---|---|---|---|---|
| SCHEMBL20632237 | 0.88 | CDK5 (0.33) | CDK5CDK5R1FAAHGRM2KDM4E | |
| SCHEMBL20633147 | 0.87 | CDK5 (0.33) | CDK5CDK5R1KDM4EALDH1A1CYP1A2 | |
| SCHEMBL20631934 | 0.84 | KDM4E (0.35) | KDM4EALDH1A1CYP1A2CYP3A4HPGD | |
| SCHEMBL20633259 | 0.82 | TRPV3 (0.35) | CYP11B2LRRK2 | |
| SCHEMBL20632104 | 0.82 | HTR2A (0.32) | HTR2AHTR2CPRKDCATMATR | |
| SCHEMBL20631960 | 0.78 | MAP4K1 (0.34) | CYP11B2CYP1A2 | |
| SCHEMBL20632941 | 0.78 | CYP11B2 (0.33) | CYP11B2KDM4E | |
| SCHEMBL20632434 | 0.78 | GAA (0.39) | HTR2AHTR2CFAAH | |
| SCHEMBL20632418 | 0.77 | CYP11B2 (0.33) | CYP11B2KDM4E | |
| SCHEMBL20632999 | 0.77 | JAK2 (0.32) | CDK5 |
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-2997029-B1 | SUBSTITUTED BRIDGED UREA ANALOGS AS SIRTUIN MODULATORS | GLAXOSMITHKLINE LLC (US) | 2019-01-09 | — | — | EP | disclosed |