Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.54 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CA2 | P00918 | 9/20 | 0.43 |
| ▸ | CA1 | P00915 | 7/20 | 0.43 |
| ▸ | CA6 | P23280 | 4/20 | 0.43 |
| ▸ | CA4 | P22748 | 4/20 | 0.43 |
| ▸ | PDIA6 | Q15084 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CA12 | O43570 | 6/20 | 0.36 |
| ▸ | CA9 | Q16790 | 6/20 | 0.36 |
| ▸ | CA7 | P43166 | 5/20 | 0.36 |
| ▸ | CA5A | P35218 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21962240 | 0.85 | CA2 (0.45) | ALDH1A1GAAL3MBTL1LMNACA2 | |
| SCHEMBL7098550 | 0.83 | ALDH1A1 (0.46) | ALDH1A1GAAL3MBTL1LMNACA2 | |
| SCHEMBL25245206 | 0.82 | ALDH1A1 (0.45) | ALDH1A1GAAL3MBTL1LMNACA2 | |
| SCHEMBL701462 | 0.80 | ALDH1A1 (0.55) | ALDH1A1GAAL3MBTL1LMNACA2 | |
| SCHEMBL28195336 | 0.80 | ALDH1A1 (0.44) | ALDH1A1GAAL3MBTL1LMNACA2 | |
| SCHEMBL23043571 | 0.79 | ALDH1A1 (0.52) | ALDH1A1GAAL3MBTL1LMNACA2 | |
| SCHEMBL4618011 | 0.79 | KMT2A (0.39) | ALDH1A1L3MBTL1MEN1CYP1A2PKM | |
| Hydrochloric Acid SCHEMBL6021662 | 0.78 | ALDH1A1 (0.53) | ALDH1A1GAAL3MBTL1LMNACA2 | |
| Hydrochloric Acid SCHEMBL8306778 | 0.78 | ALDH1A1 (0.53) | ALDH1A1GAAL3MBTL1LMNACA2 | |
| SCHEMBL5880820 | 0.78 | CA2 (0.46) | ALDH1A1GAAL3MBTL1LMNACA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104540828-B | As the substituted pyrazoloquinazolone and pyrrolo- quinazolinone of the allosteric modulators of II group metabotropic glutamate receptors | 多曼治疗学公司 | 2017-06-13 | — | — | CN | disclosed |
| CN-104540828-A | Substituted pyrazoloquinazolinones and pyrroloquinazolinones as allosteric modulators of group ii metabotropic glutamate receptors | DOMAIN THERAPEUTICS | 2015-04-22 | — | — | CN | disclosed |