Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIRT5 | Q9NXA8 | 2/20 | 0.38 |
| ▸ | CA1 | P00915 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.36 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.34 |
| ▸ | FPR2 | P25090 | 1/20 | 0.34 |
| ▸ | PGR | P06401 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | MAPT | P10636 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.34 |
| ▸ | NPY4R | P50391 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CA9 | Q16790 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | CA4 | P22748 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 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 | |
|---|---|---|---|---|
| SCHEMBL11906012 | 0.90 | CA9 (0.46) | CA1ALDH1A1KDM4EMAP2K1SMN1; SMN2 | |
| SCHEMBL6877904 | 0.90 | CA9 (0.46) | CA1ALDH1A1KDM4EMAP2K1SMN1; SMN2 | |
| SCHEMBL11983772 | 0.81 | CA12 (0.50) | CA1ALDH1A1KDM4ESMN1; SMN2L3MBTL1 | |
| SCHEMBL10315740 | 0.81 | CA12 (0.50) | CA1ALDH1A1KDM4ESMN1; SMN2L3MBTL1 | |
| SCHEMBL10315741 | 0.77 | CA12 (0.50) | CA1ALDH1A1KDM4ESMN1; SMN2MAPT | |
| SCHEMBL11983774 | 0.77 | CA12 (0.50) | CA1ALDH1A1KDM4ESMN1; SMN2MAPT | |
| SCHEMBL18220762 | 0.74 | CA12 (0.44) | CA1ALDH1A1KDM4ESMN1; SMN2NPY4R | |
| SCHEMBL3098313 | 0.73 | KDM4E (0.49) | CA1ALDH1A1KDM4ESMN1; SMN2KMT2A | |
| SCHEMBL18220760 | 0.73 | CA1 (0.47) | SIRT5CA1CA2ALDH1A1KDM4E | |
| SCHEMBL16234039 | 0.71 | CACNA1B (0.41) | CA2ALDH1A1NPBWR1SMN1; SMN2CAPN1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011084991-A2 | FLUORINATED HDAC INHIBITORS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2011-07-14 | — | — | WO | disclosed |