Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.77 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.67 |
| ▸ | NPC1 | O15118 | 3/20 | 0.60 |
| ▸ | RAB9A | P51151 | 3/20 | 0.60 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.52 |
| ▸ | MET | P08581 | 1/20 | 0.51 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA1 | P00915 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.48 |
| ▸ | LCK | P06239 | 1/20 | 0.48 |
| ▸ | STAT3 | P40763 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL1681256 | 0.97 | CYP3A4 (0.73) | CYP3A4ALOX5NPC1RAB9APDE10A | |
| SCHEMBL13463310 | 0.94 | CYP3A4 (0.69) | CYP3A4ALOX5NPC1RAB9APDE10A | |
| SCHEMBL18154063 | 0.88 | CYP3A4 (0.64) | CYP3A4ALOX5NPC1RAB9APDE10A | |
| SCHEMBL30125417 | 0.87 | CYP3A4 (1.00) | CYP3A4ALOX5NPC1RAB9APDE10A | |
| SCHEMBL841728 | 0.87 | CYP3A4 (1.00) | CYP3A4ALOX5NPC1RAB9APDE10A | |
| SCHEMBL13463295 | 0.86 | CYP3A4 (0.58) | CYP3A4ALOX5NPC1RAB9APOLB | |
| SCHEMBL13463408 | 0.86 | CYP3A4 (0.58) | CYP3A4ALOX5NPC1RAB9AALDH1A1 | |
| SCHEMBL13463305 | 0.85 | CYP3A4 (0.57) | CYP3A4ALOX5RAB9AMEN1KMT2A | |
| SCHEMBL13463304 | 0.84 | CYP3A4 (0.56) | CYP3A4 | |
| SCHEMBL10653042 | 0.84 | CYP3A4 (0.56) | CYP3A4ALOX5NPC1RAB9APDE10A |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020063854-A1 | QUINOLINE-BASED DERIVATIVES AS VAP-1 INHIBITORS | 南京明德新药研发有限公司 | 2020-04-02 | — | — | WO | disclosed |
| CN-104250252-A | Pyrazolo[1,5-a]miazine compound and its preparation method and medical use | SHANGHAI JIESEN PHARMACEUTICAL CHEMISTRY TECHNOLOGY CO LTD | 2014-12-31 | — | — | CN | disclosed |
| EP-2029572-A2 | ORGANIC COMPOUNDS | Novartis AG (CH) | 2009-03-04 | — | — | EP | disclosed |
| WO-2007143597-A2 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2007-12-13 | — | — | WO | disclosed |
| EP-1724268-A1 | COMPOUND HAVING TGF-BETA INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | KIRIN BEER KABUSHIKI KAISHA (JP) | 2006-11-22 | — | — | EP | disclosed |
| EP-0138773-B1 | USE OF QUINOLINE DERIVATIVES FOR THE PROTECTION OF CROP PLANTS | CIBA-GEIGY AG (CH) | 1990-08-29 | — | — | EP | disclosed |