Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 3/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | CASP7 | P55210 | 1/20 | 0.34 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31462816 | 0.98 | CYP2A6 (0.41) | CYP2A6CYP1A2MAPTTSHRALDH1A1 | |
| SCHEMBL29122 | 0.98 | CYP2A6 (0.41) | CYP2A6CYP1A2MAPTTSHRALDH1A1 | |
| SCHEMBL29378690 | 0.98 | CYP2A6 (0.41) | CYP2A6CYP1A2MAPTTSHRALDH1A1 | |
| SCHEMBL7590618 | 0.89 | MAPT (0.43) | CYP2A6CYP1A2MAPTHSD17B10TDP1 | |
| SCHEMBL5080119 | 0.87 | DHFR (0.40) | CYP2A6CYP1A2MAPTTSHRALDH1A1 | |
| SCHEMBL7568810 | 0.87 | HSD17B10 (0.40) | CYP2A6CYP1A2TSHRALDH1A1HSD17B10 | |
| Hydrochloric Acid SCHEMBL7937215 | 0.85 | RAB9A (0.40) | CYP2A6CYP1A2MAPTTSHRALDH1A1 | |
| SCHEMBL1042470 | 0.85 | CYP2A6 (0.42) | CYP2A6CYP1A2MAPTTSHRALDH1A1 | |
| Bromide SCHEMBL7948384 | 0.85 | MAPT (0.37) | CYP2A6CYP1A2MAPTTSHRALDH1A1 | |
| Iodide SCHEMBL7946268 | 0.85 | MAPT (0.37) | CYP2A6CYP1A2MAPTTSHRALDH1A1 |
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-111417618-A | Process for preparing enantiomerically and diastereomerically enriched cyclobutaneamines and cyclobutaneamides | 先正达参股股份有限公司 | 2020-07-14 | — | — | CN | disclosed |