Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.60 |
| ▸ | TDO2 | P48775 | 5/20 | 0.59 |
| ▸ | IDO2 | Q6ZQW0 | 5/20 | 0.59 |
| ▸ | LMNA | P02545 | 3/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.59 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.56 |
| ▸ | IDO1 | P14902 | 4/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.55 |
| ▸ | GAA | P10253 | 1/20 | 0.55 |
| ▸ | PKM | P14618 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.52 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.52 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.52 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.52 |
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) | ALDH1A1TDO2IDO2LMNAL3MBTL1 | |
| SCHEMBL22736780 | 0.84 | ALDH1A1 (0.72) | ALDH1A1TDO2IDO2LMNAL3MBTL1 | |
| SCHEMBL22720142 | 0.81 | KDM4E (0.57) | ALDH1A1TDO2IDO2LMNASMN1; SMN2 | |
| SCHEMBL22720458 | 0.81 | ALDH1A1 (0.54) | ALDH1A1TDO2IDO2LMNAL3MBTL1 | |
| SCHEMBL22736778 | 0.79 | ALDH1A1 (0.60) | ALDH1A1TDO2IDO2LMNAL3MBTL1 | |
| SCHEMBL5248270 | 0.79 | KDM4E (0.65) | ALDH1A1TDO2IDO2LMNASMN1; SMN2 | |
| SCHEMBL22720114 | 0.78 | KDM4E (0.54) | ALDH1A1TDO2IDO2LMNASMN1; SMN2 | |
| SCHEMBL22736781 | 0.78 | ALDH1A1 (0.74) | ALDH1A1TDO2IDO2LMNAL3MBTL1 | |
| SCHEMBL22736788 | 0.77 | GAA (0.56) | ALDH1A1TDO2IDO2LMNAL3MBTL1 | |
| SCHEMBL22720129 | 0.77 | ALDH1A1 (0.47) | ALDH1A1TDO2IDO2LMNAL3MBTL1 |
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 |