Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 5/20 | 0.43 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | MAOA | P21397 | 2/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.40 |
| ▸ | HNF4A | P41235 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 3/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL9779121 | 0.83 | CYP1A2 (0.48) | CYP1A2CYP2A6TDP1MAOAMAOB | |
| SCHEMBL6316182 | 0.81 | HSD17B10 (0.46) | CYP1A2CYP2A6TDP1HNF4ARAB9A | |
| SCHEMBL29463989 | 0.81 | HSD17B10 (0.46) | CYP1A2CYP2A6TDP1HNF4ARAB9A | |
| SCHEMBL25672026 | 0.77 | CYP1A2 (0.42) | CYP1A2CYP2A6TDP1MAOAMAOB | |
| SCHEMBL10109875 | 0.76 | L3MBTL1 (0.47) | CYP1A2CYP2A6TDP1MAOAMAOB | |
| SCHEMBL13935829 | 0.74 | CYP1A2 (0.46) | CYP1A2CYP2A6TDP1MAOAMAOB | |
| SCHEMBL597413 | 0.74 | CYP1A2 (0.57) | CYP1A2CYP2A6TDP1MAOARAB9A | |
| SCHEMBL25141566 | 0.74 | CYP1A2 (0.39) | CYP1A2CYP2A6TDP1MAOAMAOB | |
| SCHEMBL25672930 | 0.74 | CYP1A2 (0.39) | CYP1A2CYP2A6TDP1MAOAMAOB | |
| SCHEMBL18327949 | 0.72 | ALDH1A1 (0.46) | CYP1A2CYP2A6TDP1RAB9ACYP3A4 |
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-4190769-A1 | APPLICATION OF POLYDENTATE PHOSPHITE LIGAND IN CATALYTIC SYNTHESIS OF ADIPONITRILE | Zhejiang University (CN) | 2023-06-07 | — | — | EP | disclosed |