Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8892291 | 0.70 | ALDH1A1 (0.38) | ALDH1A1TDP1 | |
| SCHEMBL8889292 | 0.69 | PIK3CD (0.33) | ALDH1A1TDP1 | |
| SCHEMBL8891301 | 0.63 | ALDH1A1 (0.38) | ALDH1A1TDP1LMNATP53SMN1; SMN2 | |
| SCHEMBL21902170 | 0.62 | ALDH1A1 (0.35) | ALDH1A1TDP1 | |
| SCHEMBL15978312 | 0.61 | ALDH1A1 (0.50) | ALDH1A1TDP1SMN1; SMN2 | |
| SCHEMBL10399913 | 0.60 | — | — | |
| SCHEMBL12779425 | 0.60 | — | — | |
| SCHEMBL1329548 | 0.60 | — | — | |
| SCHEMBL10399914 | 0.60 | — | — | |
| Methyl Isobutyl Ketone SCHEMBL669154 | 0.60 | ALDH1A1 (0.82) | ALDH1A1TDP1SMN1; SMN2 |
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-4322553-A | BY REACTING THE CORRESPONDING N-/ALKOXYMETHYL/ACRYLAMIDE WITH THTONYL CHLORIDE OR THIONYL BROMIDE | MONSANTO COMPANY (US) | 1982-03-30 | — | — | US | disclosed |