Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.48 |
| ▸ | HTR2C | P28335 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | PER2 | O15055 | 1/20 | 0.38 |
| ▸ | CRY1 | Q16526 | 1/20 | 0.38 |
| ▸ | CRY2 | Q49AN0 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 12/20 | 0.35 |
| ▸ | PTGDR | Q13258 | 4/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.34 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL23944977 | 0.82 | PER2 (0.36) | HTR2AHTR2CKDM4EMAPTPER2 | |
| SCHEMBL18239660 | 0.79 | HTR2A (0.50) | HTR2AHTR2CKDM4EMAPTRECQL | |
| SCHEMBL21028284 | 0.74 | HTR2A (0.46) | HTR2AHTR2CPTGDR2PTGDRSIGMAR1 | |
| SCHEMBL18229866 | 0.72 | PTGDR2 (0.34) | HTR2AHTR2CPER2CRY1CRY2 | |
| SCHEMBL24141360 | 0.71 | PTGDR2 (0.45) | HTR2AHTR2CPTGDR2PTGDRSIGMAR1 | |
| SCHEMBL30749787 | 0.69 | HTR2A (0.66) | HTR2AHTR2CKDM4EMAPTRECQL | |
| SCHEMBL1104626 | 0.69 | HTR2A (0.66) | HTR2AHTR2CKDM4EMAPTRECQL | |
| SCHEMBL11163387 | 0.69 | HTR2A (0.56) | HTR2AHTR2CKDM4EMAPTRECQL | |
| SCHEMBL12604657 | 0.68 | HTR2A (0.64) | HTR2AHTR2CKDM4EMAPTRECQL | |
| SCHEMBL18239659 | 0.68 | HTR2A (0.44) | HTR2AHTR2CKDM4EMAPTRECQL |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016183278-A1 | HETEROARYL COMPOUNDS FOR KINASE INHIBITION | ARIAD PHARMACEUTICALS, INC. (US) | 2016-11-17 | — | — | WO | disclosed |