Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.47 |
| ▸ | FABP3 | P05413 | 3/20 | 0.46 |
| ▸ | FABP4 | P15090 | 3/20 | 0.46 |
| ▸ | FABP5 | Q01469 | 2/20 | 0.46 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.45 |
| ▸ | EGFR | P00533 | 1/20 | 0.45 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.45 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.45 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.45 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | MAT2A | P31153 | 1/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9539031 | 0.84 | KDM4E (0.44) | KDM4EHTTLMNAL3MBTL1MAPK1 | |
| SCHEMBL9540062 | 0.82 | KDM4E (0.51) | KDM4EHTTLMNAL3MBTL1MAPK1 | |
| SCHEMBL9540153 | 0.78 | KDM4E (0.50) | KDM4EHTTLMNAL3MBTL1MAPK1 | |
| SCHEMBL11601877 | 0.77 | CASR (0.67) | NR1I2EGFRADRA2AADORA3TBXA2R | |
| SCHEMBL9540165 | 0.75 | KDM4E (0.47) | KDM4EHTTLMNAL3MBTL1MAPK1 | |
| SCHEMBL9541577 | 0.73 | KDM4E (0.45) | KDM4EHTTLMNAL3MBTL1MAPK1 | |
| SCHEMBL9539742 | 0.71 | AURKA (0.52) | KDM4EHTTLMNAL3MBTL1EGFR | |
| SCHEMBL9539747 | 0.70 | KDM4E (0.47) | KDM4EHTTLMNAL3MBTL1MAPK1 | |
| SCHEMBL22005102 | 0.70 | ACLY (0.46) | KDM4EHTTLMNAL3MBTL1NR1I2 | |
| SCHEMBL11857830 | 0.69 | CASR (0.58) | KDM4ELMNANR1I2EGFRADRA2A |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1071917-A | Quinazoline derivant as human immunodeficiency virus reversed transcriptive enzyme antagonist | MERCK & CO INC (US) | 1993-05-12 | — | — | CN | disclosed |
| EP-0530994-A1 | Quinazoline derivatives as inhibitors of HIV reverse transcriptase | MERCK & CO. INC. (US) | 1993-03-10 | — | — | EP | disclosed |
| WO-1993004047-A1 | QUINAZOLINE DERIVATIVES AS INHIBITORS OF HIV REVERSE TRANSCRIPTASE | MERCK & CO., INC. (US) | 1993-03-04 | — | — | WO | disclosed |