Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 1/20 | 0.52 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.52 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.52 |
| ▸ | PTGIR | P43119 | 8/20 | 0.52 |
| ▸ | MMP3 | P08254 | 4/20 | 0.50 |
| ▸ | MMP2 | P08253 | 3/20 | 0.50 |
| ▸ | BRAF | P15056 | 2/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.50 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.50 |
| ▸ | MME | P08473 | 1/20 | 0.48 |
| ▸ | MGLL | Q99685 | 1/20 | 0.48 |
| ▸ | ADAMTS4 | O75173 | 1/20 | 0.47 |
| ▸ | NQO2 | P16083 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL3466703 | 0.90 | MGLL (0.51) | CYP17A1CYP11B1CYP11B2PTGIRMMP3 | |
| SCHEMBL3468299 | 0.90 | PTPN1 (0.52) | MMP3MMP2MME | |
| SCHEMBL1859446 | 0.86 | PTPN1 (0.56) | MMP3MMP2CYP2C9 | |
| SCHEMBL7929474 | 0.85 | GRIK1 (0.46) | MMP3MMP2MME | |
| SCHEMBL1861903 | 0.83 | GRIK1 (0.59) | MMP3MMP2MME | |
| SCHEMBL3468867 | 0.81 | GRIA2 (0.51) | MMP3MMP2MME | |
| SCHEMBL7918296 | 0.80 | MMP2 (0.56) | MMP3MMP2MME | |
| SCHEMBL7916834 | 0.80 | MAOB (0.52) | MMP3 | |
| SCHEMBL3467061 | 0.80 | SMN1; SMN2 (0.47) | MMP3MMP2CYP2C9 | |
| SCHEMBL5613741 | 0.78 | MMP12 (0.65) | CYP17A1CYP11B1CYP11B2PTGIRMMP2 |
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 |