Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.59 |
| ▸ | CES1 | P23141 | 2/20 | 0.50 |
| ▸ | BCHE | P06276 | 1/20 | 0.50 |
| ▸ | PNMT | P11086 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.44 |
| ▸ | RAB9A | P51151 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | USP2 | O75604 | 1/20 | 0.43 |
| ▸ | HPN | P05981 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL769934 | 0.91 | MAOA (0.71) | MAOACES1BCHEALDH1A1CYP1A2 | |
| SCHEMBL31065701 | 0.86 | MAOA (0.53) | MAOACES1BCHEPNMTNPC1 | |
| SCHEMBL4022045 | 0.81 | PNMT (0.55) | MAOACES1BCHEPNMTNPC1 | |
| SCHEMBL524602 | 0.80 | PNMT (0.63) | MAOACES1BCHEPNMTNPC1 | |
| SCHEMBL30103334 | 0.80 | PNMT (0.63) | MAOACES1BCHEPNMTNPC1 | |
| SCHEMBL17029061 | 0.80 | MAOA (0.50) | MAOACES1BCHEPNMTNPC1 | |
| SCHEMBL3271360 | 0.80 | MAOA (0.61) | MAOACES1BCHEALDH1A1CYP1A2 | |
| SCHEMBL2877998 | 0.78 | PNMT (0.61) | MAOACES1BCHEPNMTNPC1 | |
| SCHEMBL30163133 | 0.77 | PNMT (0.52) | MAOACES1BCHEPNMTNPC1 | |
| SCHEMBL10782961 | 0.76 | MAOA (0.61) | MAOACES1BCHENPC1RAB9A |
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-107840834-B | Benzopyrene compound and application thereof | 北京鼎材科技有限公司 | 2022-10-04 | — | — | CN | disclosed |