Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AGPAT2 | O15120 | 5/20 | 0.38 |
| ▸ | TGFBR1 | P36897 | 5/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | CYP2C8 | P10632 | 1/20 | 0.36 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.36 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.36 |
| ▸ | DRD3 | P35462 | 1/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.36 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.36 |
| ▸ | PTGES | O14684 | 1/20 | 0.35 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.35 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.35 |
| ▸ | HTR2B | P41595 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL24568805 | 0.86 | AGPAT2 (0.41) | AGPAT2TGFBR1CYP3A4CYP2C8HSP90AA1 | |
| SCHEMBL24569039 | 0.83 | TGFBR1 (0.36) | AGPAT2TGFBR1IDO1CYP3A4HSP90AA1 | |
| SCHEMBL27030857 | 0.81 | CXCL12 (0.38) | AGPAT2TGFBR1CYP3A4SLC22A1ABCB11 | |
| SCHEMBL24568079 | 0.81 | S1PR4 (0.43) | — | |
| SCHEMBL27200492 | 0.79 | TGFBR1 (0.47) | TGFBR1CYP3A4CYP1A2 | |
| SCHEMBL24568790 | 0.77 | HPGD (0.44) | AGPAT2IDO1CYP3A4HSP90AA1KMO | |
| SCHEMBL24568794 | 0.76 | CYP11B1 (0.45) | TGFBR1CYP3A4CYP1A2 | |
| SCHEMBL30412900 | 0.74 | TGFBR1 (0.63) | AGPAT2TGFBR1CYP3A4CYP2C8CYP1A2 | |
| SCHEMBL24568795 | 0.73 | PTGES (0.31) | PTGES | |
| SCHEMBL24569028 | 0.73 | HSP90AA1 (0.40) | AGPAT2TGFBR1PDE4DHSP90AA1HSP90AB1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022136221-A1 | PYRIDO OXAZINE DERIVATIVES AS ALK5 INHIBITORS | CHIESI FARMACEUTICI S.P.A. (IT) | 2022-06-30 | — | — | WO | disclosed |