Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CA1 | P00915 | 3/20 | 0.37 |
| ▸ | CA12 | O43570 | 3/20 | 0.37 |
| ▸ | CA7 | P43166 | 2/20 | 0.37 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.37 |
| ▸ | EPHX1 | P07099 | 2/20 | 0.36 |
| ▸ | EPHX2 | P34913 | 5/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 2/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | WNT3 | P56703 | 4/20 | 0.33 |
| ▸ | SFRP1 | Q8N474 | 4/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4565447 | 0.79 | EPHX1 (0.53) | ALDH1A1CA1EPHX1CA2SFRP1 | |
| SCHEMBL4565446 | 0.79 | EPHX1 (0.53) | ALDH1A1CA1EPHX1CA2SFRP1 | |
| SCHEMBL2980571 | 0.75 | ALDH1A1 (0.38) | ALDH1A1EPHX1EPHX2LMNAWNT3 | |
| SCHEMBL13547372 | 0.71 | HTT (0.41) | ALDH1A1CA1CA12EPHX1EPHX2 | |
| SCHEMBL13547373 | 0.71 | HTT (0.41) | ALDH1A1CA1CA12EPHX1EPHX2 | |
| SCHEMBL3053679 | 0.71 | LMNA (0.44) | ALDH1A1EPHX1EPHX2LMNATHRB | |
| SCHEMBL25219294 | 0.70 | CA1 (0.50) | CA1CA12CA7CA14EPHX1 | |
| SCHEMBL3615914 | 0.70 | ALDH1A1 (0.40) | ALDH1A1CA1CA12EPHX1EPHX2 | |
| SCHEMBL3619298 | 0.70 | CA1 (0.60) | ALDH1A1CA1EPHX1CA2L3MBTL1 | |
| SCHEMBL3610537 | 0.70 | ALDH1A1 (0.40) | ALDH1A1CA1CA12EPHX1EPHX2 |
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-2069347-A2 | NOVEL INHIBITORS OF BETA-LACTAMASE | Merck & Co., Inc. (US) | 2009-06-17 | — | — | EP | disclosed |
| WO-2008039420-A2 | NOVEL INHIBITORS OF BETA-LACTAMASE | MERCK & CO., INC. (US) | 2008-04-03 | — | — | WO | disclosed |