Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | CA7 | P43166 | 3/20 | 0.38 |
| ▸ | CA9 | Q16790 | 3/20 | 0.38 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.38 |
| ▸ | LCK | P06239 | 1/20 | 0.37 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | GFER | P55789 | 1/20 | 0.37 |
| ▸ | MYC | P01106 | 1/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.37 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.36 |
| ▸ | PARP1 | P09874 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL18979298 | 0.82 | ESR1 (0.42) | ESR1BLMPTGS2ALDH1A1 | |
| SCHEMBL12299473 | 0.81 | KDM4E (0.46) | CA1CA2ALDH1A1PARP1 | |
| SCHEMBL32665617 | 0.79 | CA12 (0.41) | CA12CA1CA2CA7CA9 | |
| SCHEMBL13508575 | 0.78 | KDM4E (0.45) | ALDH1A1 | |
| SCHEMBL29818200 | 0.78 | KDM4E (0.45) | ALDH1A1 | |
| SCHEMBL16516247 | 0.78 | CA12 (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL4084632 | 0.76 | CHRNA7 (0.44) | BLMALDH1A1CHRNA7 | |
| SCHEMBL10026839 | 0.75 | TYR (0.58) | ESR1ALOX5ALDH1A1 | |
| SCHEMBL5090081 | 0.74 | LCK (0.40) | CA12CA1CA2CA7CA9 | |
| SCHEMBL28384582 | 0.74 | PARP1 (0.38) | CA1CA2LCKALDH1A1PARP1 |
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-2234995-A1 | LEUKOTRIENE B4 INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2010-10-06 | — | — | EP | disclosed |
| WO-2009077385-A1 | LEUKOTRIENE B4 INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-06-25 | — | — | WO | disclosed |