Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.39 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.39 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.32 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA7 | P43166 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.30 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL9171625 | 0.84 | HDAC6 (0.50) | HDAC6HDAC1HDAC2L3MBTL1NFKB1 | |
| SCHEMBL15488438 | 0.79 | HDAC6 (0.37) | HDAC6HDAC1HDAC2GAAL3MBTL1 | |
| SCHEMBL24186853 | 0.79 | HDAC6 (0.37) | HDAC6HDAC1HDAC2L3MBTL1NFKB1 | |
| SCHEMBL20496118 | 0.78 | HDAC6 (0.36) | HDAC6HDAC1HDAC2L3MBTL1KDM4E | |
| SCHEMBL7493210 | 0.78 | CA14 (0.35) | HDAC6HDAC1HDAC2GAACA14 | |
| SCHEMBL14894156 | 0.78 | HDAC6 (0.36) | HDAC6HDAC1HDAC2L3MBTL1 | |
| SCHEMBL18405549 | 0.78 | HDAC6 (0.38) | HDAC6HDAC1HDAC2L3MBTL1CA14 | |
| SCHEMBL1562708 | 0.78 | HDAC6 (0.38) | HDAC6HDAC1HDAC2L3MBTL1NFKB1 | |
| SCHEMBL28644440 | 0.78 | HDAC6 (0.40) | HDAC6HDAC1HDAC2L3MBTL1NFKB1 | |
| SCHEMBL2232464 | 0.77 | ALDH1A1 (0.50) | GAAL3MBTL1CA12CA1KDM4E |
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-1444225-B1 | PYRROLIDINE OXADIAZOLE- AND THIADIAZOLE OXIME DERIVATIVES BEING OXYTOCIN RECEPTOR ANTAGONISTS. | MERCK SERONO SA (CH) | 2012-10-10 | — | — | EP | disclosed |
| EP-2331518-A1 | NEW BRADYKININ B1 ANTAGONISTS | Evotec AG (DE) | 2011-06-15 | — | — | EP | disclosed |