Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.39 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.36 |
| ▸ | NAMPT | P43490 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.31 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.31 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.30 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL18597221 | 0.84 | ALDH1A1 (0.49) | CA14HDAC6HDAC1HDAC2NAMPT | |
| SCHEMBL17149486 | 0.84 | CA14 (0.40) | CA14HDAC6HDAC1HDAC2NAMPT | |
| SCHEMBL15370926 | 0.82 | CA14 (0.39) | CA14HDAC6HDAC1HDAC2NAMPT | |
| SCHEMBL10267170 | 0.81 | CA12 (0.43) | CA14HDAC6HDAC1HDAC2NAMPT | |
| SCHEMBL24072540 | 0.81 | KMT2A (0.44) | CA14HDAC6HDAC1HDAC2NAMPT | |
| SCHEMBL1962792 | 0.80 | MEN1 (0.45) | CA14HDAC6HDAC1HDAC2CA12 | |
| SCHEMBL12310814 | 0.80 | HDAC6 (0.37) | CA14HDAC6HDAC1HDAC2CA12 | |
| SCHEMBL15085740 | 0.79 | CA14 (0.53) | CA14HDAC6HDAC1HDAC2NAMPT | |
| SCHEMBL4164699 | 0.79 | CA14 (0.41) | CA14HDAC6HDAC1HDAC2NAMPT | |
| SCHEMBL896291 | 0.79 | CA14 (0.45) | CA14HDAC6HDAC1HDAC2NAMPT |
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 |
|---|---|---|---|---|---|---|---|
| US-9428507-B2 | Compounds for the treatment of malaria | THE BROAD INSTITUTE, INC. (US) | 2016-08-30 | — | — | US | disclosed |