Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYSLTR1 | Q9Y271 | 3/20 | 0.54 |
| ▸ | CYSLTR2 | Q9NS75 | 2/20 | 0.54 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.50 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.50 |
| ▸ | ABCC5 | O15440 | 1/20 | 0.50 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.50 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | ABCC2 | Q92887 | 1/20 | 0.50 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.50 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.50 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28005582 | 1.00 | CYSLTR1 (0.54) | CYSLTR1CYSLTR2ABCC1MEN1ABCC3 | |
| SCHEMBL5493622 | 0.90 | CYSLTR1 (0.58) | CYSLTR1CYSLTR2ABCC1MEN1ABCC3 | |
| SCHEMBL14843435 | 0.83 | CYSLTR1 (0.45) | CYSLTR1CYSLTR2ABCC1MEN1ABCC3 | |
| SCHEMBL625607 | 0.82 | CYSLTR1 (0.52) | CYSLTR1CYSLTR2ABCC1MEN1ABCC3 | |
| SCHEMBL3028209 | 0.82 | CYSLTR2 (0.56) | CYSLTR1CYSLTR2MEN1ABCB11KMT2A | |
| SCHEMBL3131403 | 0.82 | CYSLTR2 (0.56) | CYSLTR1CYSLTR2MEN1ABCB11KMT2A | |
| SCHEMBL3132243 | 0.82 | CYSLTR2 (0.56) | CYSLTR1CYSLTR2MEN1ABCB11KMT2A | |
| SCHEMBL3125908 | 0.82 | CYSLTR2 (0.56) | CYSLTR1CYSLTR2MEN1ABCB11KMT2A | |
| SCHEMBL202015 | 0.81 | — | — | |
| SCHEMBL14417298 | 0.81 | — | — |
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-1812393-B1 | METHYL 2-[(3S)-[3-[(2E)-(7-CHLOROQUINOLIN-2-YL) ETHENYL]PHENYL]-3-HALOPROPYL]-BENZOATE ESTER | MATRIX LAB LTD (IN) | 2011-12-28 | — | — | EP | claimed |
| US-7858793-B2 | Methyl 2-[(3S)-[3-[2E)-(7-chloro quinolin-2-yl) ethenyl] phenyl]-3-halopropyl] benzoates | SATYANARAYANA CHAVA | 2010-12-28 | — | — | US | claimed |