Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA5A | P35218 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.32 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.32 |
| ▸ | ADRA2B | P18089 | 2/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.32 |
| ▸ | PLAU | P00749 | 1/20 | 0.32 |
| ▸ | GBA1 | P04062 | 1/20 | 0.32 |
| ▸ | FDPS | P14324 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL133375 | 0.77 | TRPV4 (0.58) | ALDH1A1ATML3MBTL1KDM4ETRPV4 | |
| SCHEMBL1820252 | 0.77 | ALDH1A1 (0.37) | ALDH1A1ATML3MBTL1KDM4ECA2 | |
| SCHEMBL18397012 | 0.74 | TRPV4 (0.39) | ALDH1A1ATML3MBTL1KDM4ETRPV4 | |
| SCHEMBL17113669 | 0.74 | TRPV4 (0.39) | ALDH1A1ATML3MBTL1KDM4ETRPV4 | |
| SCHEMBL29744288 | 0.74 | TRPV4 (0.39) | ALDH1A1ATML3MBTL1KDM4ETRPV4 | |
| SCHEMBL3394893 | 0.72 | ALDH1A1 (0.48) | ALDH1A1ATML3MBTL1KDM4ETRPV4 | |
| SCHEMBL18151841 | 0.71 | MLYCD (0.43) | ALDH1A1ATML3MBTL1KDM4ETRPV4 | |
| SCHEMBL25160683 | 0.70 | ALDH1A1 (0.43) | ALDH1A1ATML3MBTL1KDM4EMEN1 | |
| SCHEMBL15612351 | 0.70 | ALDH1A1 (0.43) | ALDH1A1ATML3MBTL1KDM4EMEN1 | |
| SCHEMBL11431 | 0.70 | CA2 (0.48) | ALDH1A1CA2CA1CA5ACA9 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2758389-A1 | PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2014-07-30 | — | — | EP | disclosed |
| EP-2758377-A1 | CYCLOALKYLNITRILE PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS | Merck Sharp & Dohme Corp. (US) | 2014-07-30 | — | — | EP | disclosed |
| WO-2013041042-A1 | PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2013-03-28 | — | — | WO | disclosed |
| WO-2013040863-A1 | CYCLOALKYLNITRILE PYRAZOLE CARBOXAMIDES AS JANUS KINASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2013-03-28 | — | — | WO | disclosed |
| EP-2091937-A2 | SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS | Merck & Co., Inc. (US) | 2009-08-26 | — | — | EP | disclosed |
| WO-2008051406-A2 | SUBSTITUTED IMIDAZOLES AS BOMBESIN RECEPTOR SUBTYPE-3 MODULATORS | MERCK & CO., INC. (US) | 2008-05-02 | — | — | WO | disclosed |