Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.33 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA7 | P43166 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 2/20 | 0.31 |
| ▸ | CTSB | P07858 | 2/20 | 0.31 |
| ▸ | CTSS | P25774 | 2/20 | 0.31 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.31 |
| ▸ | CTSD | P07339 | 1/20 | 0.31 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.31 |
| ▸ | ASGR1 | P07306 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL19008534 | 0.83 | HDAC1 (0.42) | HDAC6HDAC1HDAC2NFKB1NFKB2 | |
| SCHEMBL2246456 | 0.83 | HDAC6 (0.41) | HDAC6HDAC1HDAC2NFKB1NFKB2 | |
| SCHEMBL8737769 | 0.81 | HDAC6 (0.39) | HDAC6HDAC1HDAC2NFKB1NFKB2 | |
| SCHEMBL24737134 | 0.81 | NFKB1 (0.45) | HDAC6HDAC1HDAC2NFKB1NFKB2 | |
| SCHEMBL19821408 | 0.80 | ALDH1A1 (0.50) | HDAC6HDAC1HDAC2NFKB1NFKB2 | |
| SCHEMBL21470872 | 0.79 | HDAC6 (0.50) | HDAC6HDAC1HDAC2MEN1KMT2A | |
| SCHEMBL17277202 | 0.78 | HDAC6 (0.41) | HDAC6HDAC1HDAC2NFKB1NFKB2 | |
| SCHEMBL28595621 | 0.78 | PHF8 (0.45) | HDAC6HDAC1HDAC2NFKB1NFKB2 | |
| SCHEMBL17934111 | 0.78 | HDAC6 (0.38) | HDAC6HDAC1HDAC2NFKB1NFKB2 | |
| SCHEMBL17934204 | 0.75 | HDAC6 (0.39) | HDAC6HDAC1HDAC2NFKB1NFKB2 |
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-2021202796-A1 | PYRROLIDINE-PYRAZOLES AS PYRUVATE KINASE ACTIVATORS | GLOBAL BLOOD THERAPEUTICS, INC. (US) | 2021-10-07 | — | — | WO | disclosed |