Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PNMT | P11086 | 4/20 | 0.34 |
| ▸ | ASIC3 | Q9UHC3 | 1/20 | 0.34 |
| ▸ | AHR | P35869 | 2/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.33 |
| ▸ | CMA1 | P23946 | 1/20 | 0.33 |
| ▸ | METAP1 | P53582 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 3/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.32 |
| ▸ | TDP2 | O95551 | 1/20 | 0.32 |
| ▸ | PARP1 | P09874 | 1/20 | 0.32 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.32 |
| ▸ | KDM1A | O60341 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL386420 | 0.69 | DRD2 (0.40) | METAP1MAPK1HTR2AHTR2CHTR2B | |
| SCHEMBL387329 | 0.69 | TYRO3 (0.39) | ALOX15TDP1L3MBTL1HSP90AA1ALDH1A1 | |
| SCHEMBL387228 | 0.68 | PNMT (0.44) | PNMTTDP1TLR9ALDH1A1MAPK1 | |
| SCHEMBL1807611 | 0.68 | PNMT (0.37) | PNMTASIC3AHRALOX15CMA1 | |
| SCHEMBL386152 | 0.66 | MAOA (0.39) | ALDH1A1HTR2CKDR | |
| SCHEMBL386594 | 0.66 | EPHX2 (0.40) | TDP1L3MBTL1HSP90AA1 | |
| SCHEMBL5713757 | 0.63 | PNMT (0.36) | PNMTASIC3AHRCMA1METAP1 | |
| SCHEMBL6117182 | 0.62 | PNMT (0.43) | PNMTASIC3AHRCMA1METAP1 | |
| SCHEMBL25892628 | 0.62 | PNMT (0.43) | PNMTASIC3AHRCMA1METAP1 | |
| SCHEMBL4746292 | 0.61 | METAP1 (0.48) | PNMTASIC3AHRCMA1METAP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117120419-A | KLK5 bicyclic heteroaromatic inhibitors | 拜奥克里斯特制药公司 | 2023-11-24 | — | — | CN | disclosed |
| EP-1155698-A1 | ORGANOBORON COMPOUNDS EXHIBITING ANTICOCCIDIAL ACTIVITIES | Nitto Kasei Co., Ltd. (JP) | 2001-11-21 | — | — | EP | disclosed |