Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ELANE | P08246 | 13/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.35 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.34 |
| ▸ | TGFBR2 | P37173 | 1/20 | 0.34 |
| ▸ | BCHE | P06276 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL17165375 | 0.75 | HTR6 (0.45) | ELANEPTGS1PTGS2 | |
| SCHEMBL2187789 | 0.72 | ADORA1 (0.55) | PTGS1PTGS2ADORA1TGFBR1BCHE | |
| SCHEMBL3354801 | 0.70 | AKT1 (0.37) | TGFBR1TGFBR2 | |
| SCHEMBL15639037 | 0.69 | CA12 (0.43) | TGFBR1BCHE | |
| SCHEMBL30117484 | 0.69 | CA12 (0.43) | TGFBR1BCHE | |
| SCHEMBL27927791 | 0.68 | PTGS2 (0.54) | PTGS1PTGS2ADORA1TGFBR1BCHE | |
| SCHEMBL17325511 | 0.67 | NUDT1 (0.41) | TGFBR1 | |
| SCHEMBL17165387 | 0.66 | CDC7 (0.54) | TGFBR1 | |
| SCHEMBL21692150 | 0.65 | PTGS1 (0.58) | PTGS1PTGS2ALDH1A1 | |
| SCHEMBL18902075 | 0.64 | BRD4 (0.34) | ELANE |
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-3129367-B1 | 2,3-DISUBSTITUTED PYRIDINE COMPOUNDS AS TGF-BETA INHIBITORS | RIGEL PHARMACEUTICALS INC (US) | 2019-09-04 | — | — | EP | disclosed |