Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 3/20 | 0.42 |
| ▸ | MMP3 | P08254 | 1/20 | 0.42 |
| ▸ | NSD2 | O96028 | 1/20 | 0.41 |
| ▸ | EGLN2 | Q96KS0 | 3/20 | 0.40 |
| ▸ | BRAF | P15056 | 1/20 | 0.40 |
| ▸ | KDR | P35968 | 1/20 | 0.40 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.39 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.38 |
| ▸ | NOS3 | P29474 | 1/20 | 0.38 |
| ▸ | NOS1 | P29475 | 1/20 | 0.38 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.37 |
| ▸ | SLC34A1 | Q06495 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA2 | P00918 | 1/20 | 0.37 |
| ▸ | CA3 | P07451 | 1/20 | 0.37 |
| ▸ | CA6 | P23280 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL20074694 | 0.83 | CYP11B2 (0.46) | CYP11B2NSD2BRAFKDRKDM4C | |
| SCHEMBL20075467 | 0.79 | NSD2 (0.45) | CYP11B2MMP3NSD2EGLN2KDM4C | |
| SCHEMBL20075173 | 0.79 | SLC34A1 (0.47) | CYP11B2NSD2EGLN2BRAFKDR | |
| SCHEMBL20074777 | 0.79 | SLC34A1 (0.47) | CYP11B2NSD2BRAFKDRSLC34A1 | |
| SCHEMBL20075477 | 0.79 | MAPK14 (0.59) | BRAFKDRKDM4CMAPK14 | |
| SCHEMBL4048227 | 0.71 | TLR7 (0.50) | CYP11B2NSD2HRH3 | |
| SCHEMBL20074806 | 0.70 | CYP11B2 (0.46) | CYP11B2NSD2EGLN2KDM4CHRH3 | |
| SCHEMBL15727494 | 0.69 | HRH4 (0.48) | CYP11B2EGLN2HRH3HRH4 | |
| SCHEMBL20074788 | 0.69 | MAPK14 (0.55) | BRAFKDRMAPK14SLC34A1CA12 | |
| SCHEMBL18988210 | 0.69 | ADORA1 (0.50) | MAPK14CA12CA2CA9 |
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-3526212-B1 | SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF | BAYER AG (DE) | 2021-12-22 | — | — | EP | disclosed |
| WO-2018069222-A1 | SUBSTITUTED 6-(1H-PYRAZOL-1-YL)PYRIMIDIN-4-AMINE DERIVATIVES AND USES THEREOF | BAYER AKTIENGESELLSCHAFT (DE) | 2018-04-19 | — | — | WO | disclosed |