Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NLRP3 | Q96P20 | 7/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.34 |
| ▸ | NT5E | P21589 | 1/20 | 0.34 |
| ▸ | METAP2 | P50579 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | GRM5 | P41594 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.33 |
| ▸ | HTR2C | P28335 | 1/20 | 0.33 |
| ▸ | HTR7 | P34969 | 1/20 | 0.33 |
| ▸ | HTR2B | P41595 | 1/20 | 0.33 |
| ▸ | HTR6 | P50406 | 1/20 | 0.33 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.32 |
| ▸ | CDK9 | P50750 | 2/20 | 0.32 |
| ▸ | GSK3A | P49840 | 1/20 | 0.32 |
| ▸ | GSK3B | P49841 | 1/20 | 0.32 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL2015782 | 0.79 | NT5E (0.36) | NT5ECYP1A2GRM5 | |
| SCHEMBL2017109 | 0.76 | NLRP3 (0.43) | NLRP3IDO1METAP2GSK3AGSK3B | |
| SCHEMBL2015005 | 0.76 | PIK3CD (0.44) | METAP2CYP1A2HTR1AGSK3BCYP3A4 | |
| SCHEMBL2036983 | 0.74 | PIK3CD (0.41) | NLRP3IDO1NT5EMETAP2CYP1A2 | |
| SCHEMBL2013731 | 0.71 | AR (0.36) | — | |
| SCHEMBL9952150 | 0.71 | AR (0.36) | — | |
| SCHEMBL2017946 | 0.68 | LMNA (0.37) | CYP1A2CYP2D6CYP2C19 | |
| SCHEMBL2015218 | 0.66 | CDC7 (0.40) | IDO1GSK3BCDC7 | |
| SCHEMBL3907818 | 0.66 | AR (0.41) | HTR7 | |
| SCHEMBL2011676 | 0.65 | KDM4E (0.41) | NT5ECYP1A2GRM5GSK3BCYP3A4 |
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-2011075630-A1 | SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS | INCYTE CORPORATION (US) | 2011-06-23 | — | — | WO | disclosed |