Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | RECQL | P46063 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | TPMT | P51580 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.31 |
| ▸ | MGAM | O43451 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | SI | P14410 | 1/20 | 0.31 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL1569465 | 0.84 | TSHR (0.37) | ERN1TDP1MAPTALDH1A1TSHR | |
| SCHEMBL1569458 | 0.77 | TSHR (0.32) | TSHR | |
| SCHEMBL16758731 | 0.77 | TDP1 (0.46) | TDP1CYP3A4MAPTALDH1A1KDM4E | |
| SCHEMBL19208027 | 0.76 | ACHE (0.39) | ERN1TDP1CYP3A4MAPTALDH1A1 | |
| SCHEMBL3932720 | 0.76 | ALDH1A1 (0.43) | ERN1TDP1CYP3A4MAPTALDH1A1 | |
| SCHEMBL19208031 | 0.74 | TDP1 (0.33) | TDP1CYP3A4MAPT | |
| SCHEMBL2342604 | 0.74 | AHR (0.33) | KDM4E | |
| SCHEMBL19208032 | 0.74 | ALOX15 (0.39) | ERN1TDP1CYP3A4MAPTTSHR | |
| SCHEMBL509822 | 0.71 | PTGS2 (0.32) | — | |
| SCHEMBL29141166 | 0.71 | PTGS2 (0.45) | TDP1CYP3A4MAPT |
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-114728945-B | 3, 5-disubstituted pyrazole compounds as kinase inhibitors and uses thereof | 上海瑛派药业有限公司 | 2024-01-16 | — | — | CN | disclosed |
| CN-114728945-A | 3, 5-disubstituted pyrazole compounds as kinase inhibitors and application thereof | 上海瑛派药业有限公司 | 2022-07-08 | — | — | CN | disclosed |
| CN-112457306-A | 3, 5-disubstituted pyrazole compounds as kinase inhibitors and application thereof | 上海瑛派药业有限公司 | 2021-03-09 | — | — | 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 |