Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | MMP13 | P45452 | 4/20 | 0.40 |
| ▸ | ESR1 | P03372 | 5/20 | 0.39 |
| ▸ | TAS2R14 | Q9NYV8 | 2/20 | 0.38 |
| ▸ | LIMK2 | P53671 | 1/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.36 |
| ▸ | MMP3 | P08254 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 1/20 | 0.36 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.36 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4014555 | 0.88 | KMT2A (0.44) | KMT2AMMP13ESR1TAS2R14LIMK2 | |
| SCHEMBL4008265 | 0.86 | LMNA (0.41) | KMT2AMEN1HTTCA12CA1 | |
| SCHEMBL1859337 | 0.83 | ESR1 (0.39) | KMT2AMMP13ESR1MEN1MMP2 | |
| SCHEMBL4009251 | 0.79 | HSD11B1 (0.43) | MMP13ESR1TAS2R14MMP2KEAP1 | |
| SCHEMBL3466973 | 0.77 | CA12 (0.42) | KMT2AGAAKEAP1NFE2L2CA12 | |
| SCHEMBL1856837 | 0.76 | KMT2A (0.53) | KMT2AESR1TAS2R14HTTKEAP1 | |
| SCHEMBL4014559 | 0.74 | LMNA (0.41) | KMT2AMEN1HTTCA12CA1 | |
| SCHEMBL10728056 | 0.73 | CA12 (0.62) | KMT2ATAS2R14KEAP1NFE2L2CA12 | |
| SCHEMBL1856286 | 0.72 | KMT2A (0.40) | KMT2AMMP13ESR1MEN1MMP2 | |
| SCHEMBL4007168 | 0.71 | PTGDR2 (0.43) | KMT2ATAS2R14MEN1HTTCA12 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010070076-A1 | ALKANOIC ACID DERIVATIVES AND THEIR THERAPEUTIC USE AS HDAC INHIBITORS | CRYSTAX PHARMACEUTICALS, S.L. (ES) | 2010-06-24 | — | — | WO | disclosed |
| WO-2009080722-A2 | CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER | CRYSTAX PHARMACEUTICALS, S.L. (ES) | 2009-07-02 | — | — | WO | disclosed |