Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 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 | |
|---|---|---|---|---|
| SCHEMBL8405214 | 0.81 | NQO1 (0.31) | TDP1L3MBTL1 | |
| SCHEMBL11513183 | 0.80 | NQO1 (0.36) | MAPTTDP1MEN1ALDH1A1POLB | |
| SCHEMBL27760963 | 0.79 | HTT (0.33) | PTPN1 | |
| SCHEMBL29023056 | 0.79 | CCR1 (0.34) | PTPN1MAPTALDH1A1MAPK1KMT2A | |
| SCHEMBL28523051 | 0.79 | PTPN1 (0.31) | PTPN1CYP2C9CYP2C19 | |
| SCHEMBL28130967 | 0.79 | PTPN1 (0.31) | PTPN1 | |
| SCHEMBL8009351 | 0.78 | — | — | |
| SCHEMBL220664 | 0.77 | — | — | |
| SCHEMBL11850996 | 0.77 | ALDH1A1 (0.36) | MAPTTDP1MEN1USP2ALDH1A1 | |
| SCHEMBL15475170 | 0.77 | CALM1 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| US-6048863-A | SEXUAL DISORDERS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 2000-04-11 | — | — | US | disclosed |