Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | JUN | P05412 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.32 |
| ▸ | RELA | Q04206 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL21397287 | 0.81 | TDP1 (0.35) | TDP1JUNNFKB1NFKB2RELA | |
| SCHEMBL29708780 | 0.77 | TDP1 (0.44) | TDP1JUNNFKB1NFKB2RELA | |
| SCHEMBL1204974 | 0.77 | TDP1 (0.44) | TDP1JUNNFKB1NFKB2RELA | |
| SCHEMBL16701835 | 0.75 | TDP1 (0.43) | TDP1JUNNFKB1NFKB2RELA | |
| SCHEMBL29899133 | 0.75 | TDP1 (0.43) | TDP1JUNNFKB1NFKB2RELA | |
| SCHEMBL3075824 | 0.74 | TDP1 (0.41) | TDP1JUNNFKB1NFKB2RELA | |
| SCHEMBL16701782 | 0.74 | TDP1 (0.41) | TDP1JUNNFKB1NFKB2RELA | |
| SCHEMBL29919207 | 0.74 | TDP1 (0.41) | TDP1JUNNFKB1NFKB2RELA | |
| SCHEMBL2424857 | 0.70 | TDP1 (0.46) | TDP1JUNNFKB1NFKB2RELA | |
| SCHEMBL29417448 | 0.69 | TDP1 (0.44) | TDP1 |
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-2019183367-A1 | SHP2 PHOSPHATASE INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2019-09-26 | — | — | WO | disclosed |