Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NCF1 | P14598 | 1/20 | 0.58 |
| ▸ | NQO1 | P15559 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.47 |
| ▸ | HPGDS | O60760 | 1/20 | 0.46 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.45 |
| ▸ | F10 | P00742 | 2/20 | 0.45 |
| ▸ | PLAU | P00749 | 2/20 | 0.45 |
| ▸ | F2 | P00734 | 1/20 | 0.45 |
| ▸ | PLG | P00747 | 1/20 | 0.45 |
| ▸ | PLAT | P00750 | 1/20 | 0.45 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.45 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.45 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.45 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.45 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.45 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL17984649 | 0.98 | NCF1 (0.57) | NCF1NQO1KDM4EHRH3HPGDS | |
| SCHEMBL6827783 | 0.84 | KDM4E (0.60) | NCF1NQO1KDM4EHPGDSF2 | |
| SCHEMBL21282215 | 0.81 | NCF1 (0.55) | NCF1NQO1KDM4EHRH3HPGDS | |
| SCHEMBL23751547 | 0.79 | HDAC8 (0.56) | NCF1NQO1KDM4EHPGDSF2 | |
| SCHEMBL1993328 | 0.79 | KDM4E (0.57) | NCF1NQO1KDM4EHPGDSF2 | |
| SCHEMBL7342388 | 0.77 | HDAC8 (0.55) | NCF1NQO1KDM4EHPGDSHDAC3 | |
| SCHEMBL23761146 | 0.77 | NCF1 (0.54) | NCF1NQO1KDM4EHPGDSHDAC3 | |
| SCHEMBL1289707 | 0.74 | NCF1 (0.62) | NCF1NQO1KDM4EHRH3F2 | |
| SCHEMBL1598487 | 0.74 | NCF1 (1.00) | NCF1NQO1KDM4EPLAUCYP1A2 | |
| SCHEMBL31546801 | 0.74 | PRSS1 (0.68) | KDM4EPRSS1F10PLAUF2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3046911-A1 | HETEROCYCLIC SUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND USE THEREOF | Bayer Pharma Aktiengesellschaft (DE) | 2016-07-27 | — | — | EP | disclosed |
| WO-2015036560-A1 | HETEROCYCLIC SUBSTITUTED TRIFLUOROMETHYL PYRIMIDINONES AND USE THEREOF | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2015-03-19 | — | — | WO | disclosed |