Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.44 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | FABP3 | P05413 | 2/20 | 0.43 |
| ▸ | FABP4 | P15090 | 2/20 | 0.43 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.43 |
| ▸ | MAT2A | P31153 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | USP2 | O75604 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL9539113 | 0.84 | KDM4E (0.48) | KDM4EMAPK1NPC1RAB9AHTT | |
| SCHEMBL9539747 | 0.82 | KDM4E (0.47) | KDM4EMAPK1NPC1RAB9AHTT | |
| SCHEMBL9539053 | 0.78 | MAPT (0.50) | KDM4EMAPK1NPC1RAB9AHTT | |
| SCHEMBL9540062 | 0.70 | KDM4E (0.51) | KDM4EMAPK1NPC1RAB9AHTT | |
| SCHEMBL22005102 | 0.70 | ACLY (0.46) | KDM4ENPC1RAB9AHTTLMNA | |
| SCHEMBL9540153 | 0.68 | KDM4E (0.50) | KDM4EMAPK1HTTFABP3FABP4 | |
| SCHEMBL31268550 | 0.67 | LMNA (0.46) | KDM4EMAPK1NPC1RAB9AHTT | |
| SCHEMBL13585806 | 0.67 | KDM4E (0.58) | KDM4EMAPK1FABP3FABP4FABP5 | |
| SCHEMBL5530192 | 0.67 | MAPT (0.68) | KDM4EMAPK1NPC1RAB9AHTT | |
| SCHEMBL11601877 | 0.67 | CASR (0.67) | — |
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 |