Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.32 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | TPMT | P51580 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA4 | P22748 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL20562919 | 0.84 | HSD17B10 (0.38) | ALOX15ALOX12HSD17B10ERN1APP | |
| SCHEMBL491265 | 0.77 | HSD17B10 (0.34) | ALOX15ALOX12HSD17B10CA2CA4 | |
| SCHEMBL16758731 | 0.77 | TDP1 (0.46) | ALOX12TDP1ALOX5PTGS2CYP3A4 | |
| SCHEMBL19208027 | 0.76 | ACHE (0.39) | ALOX15ERN1TDP1CYP3A4MAPT | |
| SCHEMBL1636132 | 0.76 | HSD17B10 (0.33) | ALOX15ALOX12HSD17B10MAPTCA2 | |
| SCHEMBL3932720 | 0.76 | ALDH1A1 (0.43) | ERN1TDP1ALOX5PTGS2CYP3A4 | |
| SCHEMBL15353271 | 0.74 | HSD17B10 (0.32) | ALOX15ALOX12HSD17B10APPCA2 | |
| SCHEMBL29015550 | 0.74 | POLB (0.34) | ALOX15ALOX12HSD17B10TDP1APP | |
| SCHEMBL19208031 | 0.74 | TDP1 (0.33) | TDP1CYP3A4MAPT | |
| SCHEMBL19208034 | 0.74 | ERN1 (0.35) | HSD17B10ERN1TDP1CYP3A4MAPT |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113264945-B | Spiro derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2022-11-22 | — | — | CN | disclosed |
| CN-113264945-A | Spiro derivative, preparation method and medical application thereof | 江苏恒瑞医药股份有限公司 | 2021-08-17 | — | — | CN | disclosed |
| CN-108601781-B | As the 3,5- disubstituted pyrazole of test point kinases 1 (CHK1) inhibitor and its preparation and application | 广州必贝特医药技术有限公司 | 2019-11-22 | — | — | CN | disclosed |
| EP-3411036-A1 | 3,5-DISUBSTITUTED PYRAZOLES USEFUL AS CHECKPOINT KINASE 1 (CHK1) INHIBITORS, AND THEIR PREPARATIONS AND APPLICATIONS | Pharmaengine, Inc. (TW) | 2018-12-12 | — | — | EP | disclosed |
| WO-2017132928-A1 | 3,5-DISUBSTITUTED PYRAZOLES USEFUL AS CHECKPOINT KINASE 1 (CHK1) INHIBITORS, AND THEIR PREPARATIONS AND APPLICATIONS | PHARMAENGINE, INC. (CN) | 2017-08-10 | — | — | WO | disclosed |