Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 2/20 | 0.60 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.57 |
| ▸ | AKR1C3 | P42330 | 6/20 | 0.56 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.56 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.56 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.56 |
| ▸ | TSHR | P16473 | 2/20 | 0.56 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.56 |
| ▸ | CDC42 | P60953 | 1/20 | 0.56 |
| ▸ | RAC1 | P63000 | 1/20 | 0.56 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.54 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.51 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.47 |
| ▸ | PDE2A | O00408 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL9443943 | 0.84 | ALOX5 (0.68) | ALOX5ABCB11AKR1C3AKR1C2PTGS2 | |
| SCHEMBL5473417 | 0.82 | ABCB11 (0.58) | ALOX5ABCB11AKR1C3AKR1C2PTGS2 | |
| SCHEMBL5473415 | 0.82 | ABCB11 (0.58) | ALOX5ABCB11AKR1C3AKR1C2PTGS2 | |
| SCHEMBL13462356 | 0.82 | CA1 (0.56) | TSHRCYP2D6MAPTTDP1L3MBTL1 | |
| SCHEMBL327954 | 0.82 | CA1 (0.56) | TSHRCYP2D6MAPTTDP1L3MBTL1 | |
| SCHEMBL8239398 | 0.82 | CA1 (0.56) | TSHRCYP2D6MAPTTDP1L3MBTL1 | |
| Hydrochloric Acid SCHEMBL3654829 | 0.80 | CA1 (0.55) | TSHRCYP2D6LMNAMAPTTDP1 | |
| SCHEMBL20398797 | 0.80 | ABCB11 (0.65) | ALOX5ABCB11AKR1C3AKR1C2PTGS2 | |
| SCHEMBL487168 | 0.80 | ABCB11 (0.65) | ALOX5ABCB11AKR1C3AKR1C2PTGS2 | |
| SCHEMBL29365195 | 0.80 | ABCB11 (0.65) | ALOX5ABCB11AKR1C3AKR1C2PTGS2 |
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 |