Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RORC | P51449 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | RPS6KB1 | P23443 | 3/20 | 0.36 |
| ▸ | AURKA | O14965 | 2/20 | 0.36 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.34 |
| ▸ | EGFR | P00533 | 1/20 | 0.34 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.33 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.33 |
| ▸ | CCRL2 | O00421 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.33 |
| ▸ | CSF1R | P07333 | 1/20 | 0.33 |
| ▸ | LIPC | P11150 | 1/20 | 0.32 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL19640414 | 0.91 | RORC (0.40) | RORCCYP3A4RPS6KB1AURKAAURKB | |
| SCHEMBL19640730 | 0.89 | CSF1R (0.43) | RORCCYP3A4RPS6KB1AURKAAURKB | |
| SCHEMBL30471947 | 0.89 | SLC6A2 (0.40) | RORCCYP3A4RPS6KB1AURKAAURKB | |
| SCHEMBL23545680 | 0.89 | SLC6A2 (0.40) | RORCCYP3A4RPS6KB1AURKAAURKB | |
| SCHEMBL19640456 | 0.89 | RORC (0.41) | RORCCYP3A4RPS6KB1AURKAAURKB | |
| SCHEMBL19640665 | 0.89 | RORC (0.39) | RORCCYP3A4RPS6KB1AURKAAURKB | |
| SCHEMBL19650791 | 0.89 | RORC (0.41) | RORCCYP3A4RPS6KB1AURKAAURKB | |
| SCHEMBL19640602 | 0.88 | RORC (0.43) | RORCCYP3A4RPS6KB1AURKAAURKB | |
| SCHEMBL19640486 | 0.87 | RORC (0.39) | RORCCYP3A4RPS6KB1AURKAAURKB | |
| SCHEMBL19650874 | 0.85 | RORC (0.39) | RORCCYP3A4MEN1KMT2AMAP4K4 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3177612-B1 | OPTIONALLY FUSED HETEROCYCLYL-SUBSTITUTED DERIVATIVES OF PYRIMIDINE USEFUL FOR THE TREATMENT OF INFLAMMATORY, METABOLIC, ONCOLOGIC AND AUTOIMMUNE DISEASES | NUEVOLUTION AS (DK) | 2022-02-23 | — | — | EP | disclosed |