Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.56 |
| ▸ | GAA | P10253 | 5/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 7/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 7/20 | 0.46 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.46 |
| ▸ | HBB | P68871 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | CASP1 | P29466 | 4/20 | 0.45 |
| ▸ | CASP7 | P55210 | 3/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | PIP4K2A | P48426 | 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 | |
|---|---|---|---|---|
| SCHEMBL30222305 | 0.88 | TLR8 (0.51) | ALDH1A1GAAKDM4EL3MBTL1TLR8 | |
| SCHEMBL28751326 | 0.85 | GAA (0.50) | ALDH1A1GAAKDM4ETLR8MAPT | |
| SCHEMBL27498521 | 0.84 | TSHR (0.54) | ALDH1A1GAAKDM4ETLR8MAPT | |
| SCHEMBL29528942 | 0.82 | KDM4E (0.57) | ALDH1A1GAAKDM4EL3MBTL1TLR8 | |
| SCHEMBL8000025 | 0.82 | KDM4E (0.57) | ALDH1A1GAAKDM4EL3MBTL1TLR8 | |
| SCHEMBL18023063 | 0.77 | ALDH1A1 (0.62) | ALDH1A1GAAKDM4ETLR8MAPT | |
| SCHEMBL28310888 | 0.77 | TLR8 (0.68) | ALDH1A1GAAKDM4EL3MBTL1TLR8 | |
| SCHEMBL31167298 | 0.76 | MEN1 (0.49) | ALDH1A1GAAKDM4EMAPTHPGD | |
| SCHEMBL18023045 | 0.76 | ALDH1A1 (0.60) | ALDH1A1GAAKDM4ETLR8MAPT | |
| SCHEMBL18641090 | 0.76 | ALDH1A1 (0.65) | ALDH1A1GAAKDM4ETLR8MAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103965120-B | Quinoline and quinazoline derivant, preparation method, intermediate, compositions and application | 上海医药集团股份有限公司 | 2016-08-17 | — | — | CN | disclosed |
| US-6288082-B1 | COMPOUNDS SUCH AS 6,7-DIETHOXY-4-(INDAN-5-YLAMINO) -QUINOLINE-3-CARBONITRILE USED AS ANTINEOPLASTIC AGENTS AND IN THE TREATMENT OF POLYCYCSTIC KIDNEY DISEASE | AMERICAN CYANAMID COMPANY | 2001-09-11 | — | — | US | disclosed |
| EP-1117659-A1 | SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS | American Cyanamid Company (US) | 2001-07-25 | — | — | EP | disclosed |
| WO-2000018761-A1 | SUBSTITUTED 3-CYANOQUINOLINES AS PROTEIN TYROSINE KINASES INHIBITORS | AMERICAN CYANAMID COMPANY (US) | 2000-04-06 | — | — | WO | disclosed |