Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | KDM1A | O60341 | 1/20 | 0.32 |
| ▸ | MAOB | P27338 | 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 | |
|---|---|---|---|---|
| SCHEMBL23565219 | 1.00 | ALDH1A1 (0.41) | ALDH1A1TDP1KDM1AMAOB | |
| SCHEMBL19852739 | 0.98 | ALDH1A1 (0.40) | ALDH1A1TDP1KDM1AMAOB | |
| SCHEMBL19388893 | 0.93 | ALDH1A1 (0.38) | ALDH1A1TDP1 | |
| SCHEMBL18906787 | 0.93 | ALDH1A1 (0.43) | ALDH1A1TDP1KDM1AMAOB | |
| SCHEMBL19288568 | 0.91 | ALDH1A1 (0.37) | ALDH1A1TDP1 | |
| SCHEMBL20445565 | 0.90 | ALDH1A1 (0.44) | ALDH1A1TDP1KDM1AMAOB | |
| SCHEMBL5932187 | 0.87 | — | — | |
| SCHEMBL10203446 | 0.87 | — | — | |
| SCHEMBL10203455 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL27196340 | 0.85 | ALDH1A1 (0.48) | ALDH1A1TDP1KDM1AMAOB |
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-2019204449-A1 | K-RAS MODULATORS WITH A VINYL SULFONE MOIETY | THERAS, INC. (US) | 2019-10-24 | — | — | WO | disclosed |