Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | KDM4C | Q9H3R0 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | RAB9A | P51151 | 1/20 | 0.44 |
| ▸ | TERT | O14746 | 1/20 | 0.44 |
| ▸ | CASP3 | P42574 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | TNKS | O95271 | 1/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.43 |
| ▸ | TNKS2 | Q9H2K2 | 1/20 | 0.43 |
| ▸ | ELANE | P08246 | 1/20 | 0.43 |
| ▸ | TLR7 | Q9NYK1 | 1/20 | 0.43 |
| ▸ | TDP2 | O95551 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL9540062 | 0.82 | KDM4E (0.51) | KDM4EALDH1A1GAAHPGDMAPT | |
| SCHEMBL9540027 | 0.82 | MEN1 (0.51) | KDM4EALDH1A1GAAHPGDMAPT | |
| SCHEMBL9539883 | 0.82 | MEN1 (0.47) | KDM4EALDH1A1HPGDKMT2ALMNA | |
| SCHEMBL11865898 | 0.80 | ADORA2A (0.44) | KDM4EALDH1A1GAAHPGDMAPT | |
| SCHEMBL7905247 | 0.75 | ALDH1A1 (0.50) | KDM4EALDH1A1HPGDMAPTCYP2C19 | |
| SCHEMBL9539800 | 0.73 | FABP3 (0.46) | KDM4EALDH1A1MAPTKDM4CCASP3 | |
| SCHEMBL1463333 | 0.73 | KMT2A (0.65) | KDM4EALDH1A1MAPTKMT2ANPC1 | |
| SCHEMBL29764078 | 0.73 | KMT2A (0.65) | KDM4EALDH1A1MAPTKMT2ANPC1 | |
| SCHEMBL11608488 | 0.71 | HPGD (0.53) | KDM4EALDH1A1GAAHPGDCYP2C19 | |
| SCHEMBL2834048 | 0.70 | GABRA1 (0.44) | KDM4EALDH1A1GAAHPGDCYP2C19 |
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 |