Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AURKA | O14965 | 2/20 | 0.48 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 2/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | CASP1 | P29466 | 1/20 | 0.48 |
| ▸ | TTK | P33981 | 1/20 | 0.48 |
| ▸ | INCENP | Q9NQS7 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.44 |
| ▸ | MCL1 | Q07820 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | AKT1 | P31749 | 1/20 | 0.41 |
| ▸ | AKT2 | P31751 | 1/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | DRD2 | P14416 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL14974312 | 0.74 | AURKA (0.61) | AURKAAURKBMAPTTHRBCASP1 | |
| SCHEMBL333740 | 0.73 | MAPT (0.50) | AURKAAURKBMAPTTHRBCASP1 | |
| SCHEMBL1126714 | 0.73 | AURKA (0.50) | AURKAAURKBMAPTTHRBCASP1 | |
| SCHEMBL24633981 | 0.73 | ALDH1A1 (0.58) | AURKAAURKBMAPTTHRBCASP1 | |
| SCHEMBL27844605 | 0.71 | AURKA (0.48) | AURKAAURKBMAPTTHRBCASP1 | |
| SCHEMBL6291849 | 0.71 | MAPT (0.59) | AURKAAURKBMAPTTHRBCASP1 | |
| SCHEMBL17279777 | 0.70 | AURKA (0.47) | AURKAAURKBMAPTTHRBCASP1 | |
| Biphenyl SCHEMBL4707139 | 0.69 | ALDH1A1 (0.90) | MAPTALDH1A1MAPK1AKT1AKT2 | |
| Biphenyl SCHEMBL5068276 | 0.69 | ALDH1A1 (0.90) | ALDH1A1MAPK1CRHBPCRHR2NOTUM | |
| Perbromobenzene SCHEMBL28319870 | 0.67 | ALDH1A1 (0.69) | ALDH1A1MAPK1CRHBPCRHR2NOTUM |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106117181-A | PI3K inhibitor and preparation method thereof and the application in pharmacy | 复旦大学 | 2016-11-16 | — | — | CN | disclosed |
| CN-101027302-B | Pyrrolo-pyridine kinase modulators | SGX PHARMACEUTICALS INC | 2011-05-11 | — | — | CN | disclosed |
| CN-101027302-A | Pyrrolo-pyridine kinase modulators | SGX PHARMACEUTICALS INC (US) | 2007-08-29 | — | — | CN | disclosed |