Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 5/20 | 0.52 |
| ▸ | 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 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 3/20 | 0.42 |
| ▸ | AGXT | P21549 | 2/20 | 0.42 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.42 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6531270 | 0.79 | AOC3 (0.45) | AOC3CA12CA1CA2CA7 | |
| SCHEMBL1263095 | 0.77 | ALDH1A1 (0.60) | AOC3CA12CA1CA2CA7 | |
| SCHEMBL24247974 | 0.77 | CA1 (0.52) | AOC3CA12CA1CA2CA7 | |
| SCHEMBL17461082 | 0.77 | CA1 (0.58) | AOC3CA12CA1CA2CA7 | |
| SCHEMBL1573622 | 0.76 | CA1 (0.65) | CA12CA1CA2CA7CA9 | |
| SCHEMBL6233100 | 0.76 | CA1 (0.65) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4745147 | 0.76 | CA1 (0.50) | AOC3CA12CA1CA2CA7 | |
| SCHEMBL11852811 | 0.75 | KEAP1 (0.45) | AOC3CA1CA2ALDH1A1MAPT | |
| SCHEMBL9779992 | 0.75 | KEAP1 (0.56) | CA1CA2 | |
| SCHEMBL1871474 | 0.75 | LTA4H (0.53) | AOC3TDP1MAPK1ALDH1A1ACHE |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010091543-A1 | NOVEL HYDRAZINO-CYCLOBUT-3-ENE-1, 2-DIONE DERIVATIVES AS CXCR2 ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-08-19 | — | — | WO | disclosed |
| WO-2010091543-A1 | NOVEL HYDRAZINO-CYCLOBUT-3-ENE-1, 2-DIONE DERIVATIVES AS CXCR2 ANTAGONISTS | MERCK SHARP & DOHME CORP. (US) | 2010-08-19 | — | — | WO | disclosed |