Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.54 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.54 |
| ▸ | HPGD | P15428 | 4/20 | 0.54 |
| ▸ | LMNA | P02545 | 4/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.54 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.54 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.54 |
| ▸ | TDO2 | P48775 | 2/20 | 0.50 |
| ▸ | IDO2 | Q6ZQW0 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | IDO1 | P14902 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | GLA | P06280 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL22720125 | 0.86 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2NPSR1HPGDLMNA | |
| SCHEMBL22720183 | 0.81 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2LMNAKMT2AL3MBTL1 | |
| SCHEMBL22720179 | 0.80 | SMN1; SMN2 (0.52) | ALDH1A1SMN1; SMN2NPSR1HPGDLMNA | |
| SCHEMBL22720142 | 0.78 | KDM4E (0.57) | ALDH1A1SMN1; SMN2LMNAMEN1KMT2A | |
| SCHEMBL5248270 | 0.78 | KDM4E (0.65) | ALDH1A1SMN1; SMN2NPSR1HPGDLMNA | |
| SCHEMBL22720129 | 0.76 | ALDH1A1 (0.47) | ALDH1A1SMN1; SMN2NPSR1HPGDLMNA | |
| SCHEMBL22720124 | 0.76 | GAA (0.59) | ALDH1A1SMN1; SMN2NPSR1MEN1KMT2A | |
| SCHEMBL22736788 | 0.76 | GAA (0.56) | ALDH1A1SMN1; SMN2NPSR1LMNAMEN1 | |
| SCHEMBL22736778 | 0.76 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2NPSR1HPGDLMNA | |
| SCHEMBL22720194 | 0.76 | GAA (0.52) | ALDH1A1SMN1; SMN2LMNAMEN1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020239050-A1 | 2-(2-CHLORO-4-METHYLPHENYL)QUINAZOLINE-4(3H)-KETONE COMPOUND AND MEDICAL USE THEREOF | 中国人民解放军军事科学院军事医学研究院 | 2020-12-03 | — | — | WO | disclosed |
| WO-2020239050-A1 | 2-(2-CHLORO-4-METHYLPHENYL)QUINAZOLINE-4(3H)-KETONE COMPOUND AND MEDICAL USE THEREOF | 中国人民解放军军事科学院军事医学研究院 | 2020-12-03 | — | — | WO | disclosed |