Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 9/20 | 0.69 |
| ▸ | RAB9A | P51151 | 7/20 | 0.69 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.69 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.69 |
| ▸ | RELA | Q04206 | 1/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.69 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.58 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.54 |
| ▸ | CDK1 | P06493 | 1/20 | 0.54 |
| ▸ | CDK2 | P24941 | 1/20 | 0.54 |
| ▸ | GSK3A | P49840 | 1/20 | 0.54 |
| ▸ | GSK3B | P49841 | 1/20 | 0.54 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.54 |
| ▸ | CDK5 | Q00535 | 1/20 | 0.54 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.54 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.54 |
| ▸ | STK17A | Q9UEE5 | 1/20 | 0.54 |
| ▸ | WNT3A | P56704 | 1/20 | 0.54 |
| ▸ | NCF1 | P14598 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL18248612 | 0.88 | RAB9A (0.63) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL4413382 | 0.87 | NPC1 (0.64) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL14580724 | 0.86 | NPC1 (0.71) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL4856355 | 0.84 | NPC1 (0.69) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL30444457 | 0.82 | NPC1 (0.63) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL11716643 | 0.82 | NPC1 (0.66) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL11716649 | 0.82 | NPC1 (0.66) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL2638111 | 0.82 | NPC1 (0.66) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL2638108 | 0.81 | NPC1 (0.64) | NPC1RAB9ANFKB1NFKB2RELA | |
| SCHEMBL10605304 | 0.81 | NPC1 (0.64) | NPC1RAB9ANFKB1NFKB2RELA |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113773250-B | 5-cyano-8-amido quinoline compound and preparation method thereof | 湖北工业大学 | 2023-07-25 | — | — | CN | claimed |
| CN-113773250-B | 5-cyano-8-amido quinoline compound and preparation method thereof | 湖北工业大学 | 2023-07-25 | — | — | CN | disclosed |
| CN-115568473-A | Use of alkoxypyrazoles as nitrification inhibitors | 巴斯夫欧洲公司 | 2023-01-06 | — | — | CN | disclosed |
| CN-113121512-B | Preparation method of quinazolinyl butene amide compound | 江苏晶立信医药科技有限公司 | 2022-11-04 | — | — | CN | disclosed |
| CN-111683529-B | Use of alkoxypyrazoles as nitrification inhibitors | 巴斯夫欧洲公司 | 2022-10-14 | — | — | CN | disclosed |
| CN-113121512-A | Preparation method of quinazolinyl butene amide compound | 江苏晶立信医药科技有限公司 | 2021-07-16 | — | — | CN | disclosed |
| CN-105175330-B | A kind of 5- substituted thioethers/selenide/telluride quinolines and preparation method thereof | 湖南大学 | 2018-11-13 | — | — | CN | disclosed |
| CN-108245519-A | Application of butyrylaminoquinazoline compound in preparation of drugs for treating leukemia | 浙江工业大学 | 2018-07-06 | — | — | CN | disclosed |