Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CCR6 | P51684 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2133548 | 0.84 | ALDH1A1 (0.42) | ALDH1A1CCR6PAX8KMT2AMAPK1 | |
| SCHEMBL495877 | 0.82 | MEN1 (0.44) | ALDH1A1KMT2AL3MBTL1TDP1ALOX5 | |
| SCHEMBL3459106 | 0.82 | MEN1 (0.44) | ALDH1A1KMT2AL3MBTL1TDP1ALOX5 | |
| SCHEMBL5142449 | 0.82 | MEN1 (0.44) | ALDH1A1KMT2AL3MBTL1TDP1ALOX5 | |
| SCHEMBL2968353 | 0.81 | L3MBTL1 (0.41) | KMT2AL3MBTL1NPSR1 | |
| SCHEMBL997079 | 0.81 | L3MBTL1 (0.41) | KMT2AL3MBTL1NPSR1 | |
| SCHEMBL162237 | 0.81 | L3MBTL1 (0.41) | KMT2AL3MBTL1NPSR1 | |
| SCHEMBL633907 | 0.78 | SIGMAR1 (0.54) | ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2 | |
| SCHEMBL633302 | 0.78 | SIGMAR1 (0.54) | ALDH1A1KMT2AMAPK1L3MBTL1SLC6A2 | |
| SCHEMBL335102 | 0.76 | L3MBTL1 (0.42) | ALDH1A1L3MBTL1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2081917-A2 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | Abbott Laboratories (US) | 2009-07-29 | — | — | EP | disclosed |
| WO-2008027932-A2 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | ABBOTT LABORATORIES (US) | 2008-03-06 | — | — | WO | disclosed |