Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALOX5 | P09917 | 1/20 | 0.63 |
| ▸ | NPC1 | O15118 | 3/20 | 0.57 |
| ▸ | RAB9A | P51151 | 2/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 3/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.49 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.49 |
| ▸ | LCK | P06239 | 1/20 | 0.49 |
| ▸ | IP6K1 | Q92551 | 1/20 | 0.47 |
| ▸ | MAOB | P27338 | 3/20 | 0.47 |
| ▸ | CA12 | O43570 | 2/20 | 0.47 |
| ▸ | CA1 | P00915 | 2/20 | 0.47 |
| ▸ | CA2 | P00918 | 2/20 | 0.47 |
| ▸ | CA7 | P43166 | 2/20 | 0.47 |
| ▸ | CA9 | Q16790 | 2/20 | 0.47 |
| ▸ | MAOA | P21397 | 2/20 | 0.47 |
| ▸ | CA3 | P07451 | 1/20 | 0.47 |
| ▸ | CA4 | P22748 | 1/20 | 0.47 |
| ▸ | CA6 | P23280 | 1/20 | 0.47 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL21864952 | 0.82 | ALOX5 (0.68) | ALOX5NPC1RAB9ACYP3A4MEN1 | |
| SCHEMBL1550777 | 0.82 | ALOX5 (0.63) | ALOX5NPC1RAB9ACYP3A4MEN1 | |
| SCHEMBL19101905 | 0.82 | ALOX5 (0.63) | ALOX5NPC1RAB9ACYP3A4MEN1 | |
| SCHEMBL21865252 | 0.79 | ALOX5 (0.59) | ALOX5NPC1RAB9ACYP3A4MEN1 | |
| SCHEMBL28254813 | 0.79 | ALOX5 (0.59) | ALOX5NPC1RAB9ACYP3A4MEN1 | |
| SCHEMBL3316417 | 0.79 | ALOX5 (0.59) | ALOX5NPC1RAB9ACYP3A4MEN1 | |
| SCHEMBL3314513 | 0.79 | ALOX5 (0.59) | ALOX5NPC1RAB9ACYP3A4MEN1 | |
| SCHEMBL21864940 | 0.78 | P4HTM (0.61) | ALOX5NPC1RAB9ACYP3A4MEN1 | |
| SCHEMBL15876056 | 0.78 | ALOX5 (0.58) | ALOX5NPC1RAB9ACYP3A4MEN1 | |
| SCHEMBL51460 | 0.78 | ALOX5 (1.00) | ALOX5NPC1RAB9ACYP3A4MEN1 |
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 1 patent. 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 |