Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 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 | |
|---|---|---|---|---|
| SCHEMBL8889292 | 0.72 | PIK3CD (0.33) | ALDH1A1TDP1 | |
| SCHEMBL11241949 | 0.70 | ALDH1A1 (0.35) | ALDH1A1TDP1 | |
| SCHEMBL21902170 | 0.69 | ALDH1A1 (0.35) | ALDH1A1TDP1CA2 | |
| SCHEMBL22871201 | 0.65 | ALDH1A1 (0.32) | ALDH1A1TDP1 | |
| SCHEMBL8889508 | 0.64 | ALDH1A1 (0.41) | ALDH1A1TDP1CA2 | |
| SCHEMBL25469576 | 0.63 | — | — | |
| SCHEMBL15978312 | 0.63 | ALDH1A1 (0.50) | ALDH1A1TDP1CA2 | |
| Methyl Isobutyl Ketone SCHEMBL11761834 | 0.62 | ALDH1A1 (0.82) | ALDH1A1TDP1CA2 | |
| SCHEMBL21765708 | 0.62 | ALDH1A1 (0.48) | ALDH1A1TDP1CA2 | |
| SCHEMBL9358542 | 0.62 | ALDH1A1 (0.41) | ALDH1A1TDP1CA2 |
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-1997008160-A1 | N-(1-ISOPROPYL-2-METHYL-1-PROPENYL)HETEROARYLOXYACETAMIDES AND THE USE THEREOF AS HERBICIDES | BAYER AKTIENGESELLSCHAFT (DE) | 1997-03-06 | — | — | WO | disclosed |