Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.46 |
| ▸ | HTR2A | P28223 | 3/20 | 0.40 |
| ▸ | HRH1 | P35367 | 3/20 | 0.40 |
| ▸ | KIF11 | P52732 | 1/20 | 0.39 |
| ▸ | PIM1 | P11309 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.36 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28964148 | 0.98 | MAOA (0.45) | MAOAHTR2AHRH1KIF11PIM1 | |
| SCHEMBL474417 | 0.93 | MAOA (0.43) | MAOAHTR2AHRH1KIF11CYP3A4 | |
| SCHEMBL29179 | 0.88 | CYP3A4 (0.45) | CYP3A4TDP1 | |
| SCHEMBL2920316 | 0.85 | CYP3A4 (0.43) | CYP3A4TDP1 | |
| SCHEMBL7164452 | 0.85 | TDP1 (0.43) | MAOACYP3A4TDP1SIGMAR1 | |
| SCHEMBL689027 | 0.85 | TDP1 (0.43) | MAOACYP3A4TDP1SIGMAR1 | |
| SCHEMBL240779 | 0.85 | TDP1 (0.43) | MAOACYP3A4TDP1SIGMAR1 | |
| SCHEMBL3930010 | 0.85 | CYP3A4 (0.43) | CYP3A4TDP1 | |
| Hydrochloric Acid SCHEMBL9322645 | 0.85 | CYP3A4 (0.43) | CYP3A4TDP1 | |
| SCHEMBL28797563 | 0.85 | CYP3A4 (0.43) | CYP3A4TDP1 |
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-107980011-A | The method of homogeneous catalysis reduction amination carbonyls | 巴斯夫欧洲公司 | 2018-05-01 | — | — | CN | disclosed |