Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | CCR2 | P41597 | 1/20 | 0.43 |
| ▸ | PTGS2 | P35354 | 7/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | DDR1 | Q08345 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | MT-CO1 | P00395 | 1/20 | 0.37 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL2369020 | 1.00 | KMT2A (0.49) | KMT2ACCR2PTGS2ADRA2AADRA2C | |
| SCHEMBL30488778 | 0.83 | PTGS2 (0.41) | KMT2ACCR2PTGS2ADRA2AADRA1D | |
| SCHEMBL1272338 | 0.83 | PTGS2 (0.41) | KMT2ACCR2PTGS2ADRA2AADRA1D | |
| SCHEMBL23978197 | 0.81 | CA2 (0.50) | KMT2APTGS2PTGS1PTGES2 | |
| SCHEMBL31645221 | 0.79 | KMT2A (0.49) | KMT2ACCR2EPHX2TSHREPAS1 | |
| SCHEMBL434170 | 0.79 | KMT2A (0.49) | KMT2ACCR2EPHX2TSHREPAS1 | |
| SCHEMBL30228782 | 0.79 | KMT2A (0.45) | KMT2AEPHX2KDM4ECYP3A4TSHR | |
| SCHEMBL15352923 | 0.79 | KMT2A (0.45) | KMT2AEPHX2KDM4ETSHREPAS1 | |
| SCHEMBL2646368 | 0.78 | HSP90AA1 (0.43) | CCR2L3MBTL1PIK3CDPIK3CAPIK3CB | |
| SCHEMBL644662 | 0.78 | CCR2 (0.57) | CCR2PTGS2ADRA2AADRA2CADRA1D |
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 |
|---|---|---|---|---|---|---|---|
| CN-114044800-A | Aryl, heteroaryl and heterocyclic compounds for the treatment of medical disorders | 艾其林医药公司 | 2022-02-15 | — | — | CN | disclosed |