Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 1/20 | 0.52 |
| ▸ | MAOB | P27338 | 1/20 | 0.52 |
| ▸ | MMP1 | P03956 | 4/20 | 0.42 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.41 |
| ▸ | MMP9 | P14780 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 1/20 | 0.41 |
| ▸ | MMP14 | P50281 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 5/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | ESR1 | P03372 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL635637 | 0.93 | ENPP2 (0.46) | MAOAMAOBMMP1ENPP2CA2 | |
| SCHEMBL27557826 | 0.91 | ENPP2 (0.44) | MAOAMAOBMMP1ENPP2CA2 | |
| Ammonia Solution, Strong SCHEMBL27844793 | 0.91 | ENPP2 (0.44) | MAOAMAOBMMP1ENPP2CA2 | |
| SCHEMBL28067243 | 0.91 | ENPP2 (0.44) | MAOAMAOBMMP1ENPP2CA2 | |
| Potassium SCHEMBL1305608 | 0.91 | ENPP2 (0.44) | MAOAMAOBMMP1ENPP2CA2 | |
| SCHEMBL28116052 | 0.86 | CYP1A2 (0.42) | MAOAMAOBENPP2LTA4HCYP1A2 | |
| SCHEMBL9242729 | 0.80 | MAOA (0.74) | MAOAMAOBCA2MMP2MMP9 | |
| SCHEMBL3800806 | 0.80 | CA1 (0.38) | ENPP2CA2CA9CA14CA1 | |
| SCHEMBL457634 | 0.80 | MAOA (0.74) | MAOAMAOBCA2MMP2MMP9 | |
| SCHEMBL2762065 | 0.79 | CA1 (0.61) | MAOACA2CA9LTA4HCA1 |
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-104844609-B | The irreversible bruton's tyrosine kinase inhibitor of dibit point | 杭州和正医药有限公司 | 2016-07-13 | — | — | CN | disclosed |