Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MMP13 | P45452 | 2/20 | 0.46 |
| ▸ | MMP12 | P39900 | 1/20 | 0.46 |
| ▸ | ADAMTS4 | O75173 | 2/20 | 0.44 |
| ▸ | ACLY | P53396 | 2/20 | 0.42 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MMP2 | P08253 | 1/20 | 0.40 |
| ▸ | MMP3 | P08254 | 1/20 | 0.40 |
| ▸ | PTGES2 | Q9H7Z7 | 1/20 | 0.40 |
| ▸ | NAMPT | P43490 | 1/20 | 0.40 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.40 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.40 |
| ▸ | SGK1 | O00141 | 1/20 | 0.40 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.39 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.39 |
| ▸ | PTPN2 | P17706 | 2/20 | 0.39 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.39 |
| ▸ | STAT3 | P40763 | 1/20 | 0.39 |
| ▸ | PTPRS | Q13332 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3467248 | 0.88 | MMP13 (0.51) | MMP13MMP12ADAMTS4ACLYPGR | |
| SCHEMBL8037792 | 0.86 | HTR6 (0.51) | PGRALDH1A1NAMPTHDAC8 | |
| SCHEMBL1856441 | 0.84 | HTR6 (0.53) | PGRALDH1A1NAMPTHDAC8 | |
| SCHEMBL7932591 | 0.82 | MMP12 (0.63) | MMP13MMP12ADAMTS4FFAR1MMP2 | |
| SCHEMBL7928277 | 0.81 | MMP12 (0.64) | MMP13MMP12ADAMTS4FFAR1MMP2 | |
| SCHEMBL8039484 | 0.80 | HTR6 (0.58) | MMP2MMP3NAMPTHDAC8 | |
| SCHEMBL1855593 | 0.78 | HTR6 (0.54) | ALDH1A1MMP2MMP3 | |
| SCHEMBL3467017 | 0.76 | MMP12 (0.57) | MMP13MMP12ADAMTS4FFAR1MMP2 | |
| SCHEMBL1855764 | 0.76 | MMP2 (0.46) | MMP13PGRALDH1A1MMP2MMP3 | |
| SCHEMBL3469957 | 0.76 | PTPN2 (0.40) | MMP13MMP12ADAMTS4ACLYFFAR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010070076-A1 | ALKANOIC ACID DERIVATIVES AND THEIR THERAPEUTIC USE AS HDAC INHIBITORS | CRYSTAX PHARMACEUTICALS, S.L. (ES) | 2010-06-24 | — | — | WO | claimed |
| WO-2010070076-A1 | ALKANOIC ACID DERIVATIVES AND THEIR THERAPEUTIC USE AS HDAC INHIBITORS | CRYSTAX PHARMACEUTICALS, S.L. (ES) | 2010-06-24 | — | — | WO | disclosed |
| WO-2010070076-A1 | ALKANOIC ACID DERIVATIVES AND THEIR THERAPEUTIC USE AS HDAC INHIBITORS | CRYSTAX PHARMACEUTICALS, S.L. (ES) | 2010-06-24 | — | — | WO | disclosed |