Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | WNT3A | P56704 | 1/20 | 0.41 |
| ▸ | CDK7 | P50613 | 5/20 | 0.37 |
| ▸ | CDK13 | Q14004 | 5/20 | 0.37 |
| ▸ | CDK12 | Q9NYV4 | 3/20 | 0.37 |
| ▸ | QDPR | P09417 | 2/20 | 0.36 |
| ▸ | ATR | Q13535 | 1/20 | 0.36 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.35 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.35 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.34 |
| ▸ | CDK9 | P50750 | 2/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL30988578 | 0.80 | CDK7 (0.38) | CDK7CDK13CDK12EPHX1HTR2C | |
| SCHEMBL171555 | 0.78 | NNMT (0.42) | WNT3AQDPRSCN9ASIGMAR1CCNT1 | |
| SCHEMBL21435776 | 0.76 | CDK13 (0.67) | CDK7CDK13CDK12 | |
| SCHEMBL22895398 | 0.76 | CDK13 (0.67) | CDK7CDK13CDK12 | |
| SCHEMBL171560 | 0.73 | P4HA1 (0.54) | WNT3AQDPRSIGMAR1HTR2CHRH3 | |
| SCHEMBL171525 | 0.72 | SIGMAR1 (0.44) | WNT3AQDPRSIGMAR1HTR2CHRH3 | |
| SCHEMBL10068060 | 0.72 | QDPR (0.59) | WNT3AQDPRSIGMAR1HTR2CHRH3 | |
| SCHEMBL103834 | 0.72 | CCR1 (0.48) | WNT3AQDPRSIGMAR1HTR2CHRH3 | |
| SCHEMBL29936063 | 0.72 | SIGMAR1 (0.44) | WNT3AQDPRSIGMAR1HTR2CHRH3 | |
| SCHEMBL27849940 | 0.72 | SIGMAR1 (0.44) | WNT3AQDPRSIGMAR1HTR2CHRH3 |
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-2019193509-A1 | SUBSTITUTED PYRAZOLE DERIVATIVES AS SELECTIVE CDK12/13 INHIBITORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2019-10-10 | — | — | WO | disclosed |