Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.50 |
| ▸ | MCL1 | Q07820 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | BRD4 | O60885 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | CA12 | O43570 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | AKR1B1 | P15121 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 2/20 | 0.39 |
| ▸ | CA9 | Q16790 | 2/20 | 0.39 |
| ▸ | CA13 | Q8N1Q1 | 2/20 | 0.39 |
| ▸ | GLA | P06280 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.39 |
| ▸ | CASP1 | P29466 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL31392596 | 0.72 | PDE3B (0.56) | ALDH1A1KDM4EHPGDSMN1; SMN2CA12 | |
| SCHEMBL29489333 | 0.72 | ALDH1A1 (0.49) | ALDH1A1KDM4EHPGDCA12CA1 | |
| SCHEMBL9342415 | 0.72 | PDE3B (0.56) | ALDH1A1KDM4EHPGDSMN1; SMN2CA12 | |
| SCHEMBL8404488 | 0.71 | TRPM5 (0.33) | ALDH1A1NQO2 | |
| SCHEMBL11496731 | 0.68 | ALDH1A1 (0.63) | ALDH1A1MCL1KDM4ESMN1; SMN2CA12 | |
| SCHEMBL9549005 | 0.67 | ALDH1A1 (1.00) | ALDH1A1KDM4ESMN1; SMN2GLAGAA | |
| SCHEMBL27633733 | 0.67 | ALDH1A1 (0.42) | ALDH1A1KDM4EHPGDBRD4SMN1; SMN2 | |
| SCHEMBL11526182 | 0.67 | ALDH1A1 (0.47) | ALDH1A1KDM4EHPGDBRD4CA12 | |
| SCHEMBL16744195 | 0.67 | TRPM5 (0.31) | — | |
| SCHEMBL21362063 | 0.67 | TRPM5 (0.31) | ALDH1A1KDM4ESMN1; SMN2CYP1A2MAPT |
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-110483511-B | Synthetic method of quinazolinone polycyclic compound | 常州大学 | 2021-06-22 | — | — | CN | disclosed |
| EP-0299349-A2 | N-substituted-5,6-dimethoxy-1,2-benzisoxazole-3-propanamine and related compounds, a process for their preparation and their use as medicaments | HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) | 1989-01-18 | — | — | EP | disclosed |