Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A2 | O94788 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.42 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.42 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11039996 | 0.92 | ALDH1A2 (0.46) | ALDH1A2ALDH1A1ALDH2ALDH1A3 | |
| SCHEMBL21997570 | 0.75 | KDM1A (0.32) | P2RX7 | |
| SCHEMBL2154404 | 0.69 | ALDH1A1 (0.43) | ALDH1A1 | |
| SCHEMBL11258952 | 0.68 | RXFP1 (0.44) | — | |
| SCHEMBL11252123 | 0.68 | RXFP1 (0.44) | — | |
| SCHEMBL11251570 | 0.68 | RXFP1 (0.44) | — | |
| SCHEMBL3840377 | 0.67 | ALDH1A1 (0.33) | ALDH1A1 | |
| SCHEMBL11252268 | 0.66 | RXFP1 (0.42) | — | |
| SCHEMBL16419574 | 0.63 | ALDH1A1 (0.39) | ALDH1A1 | |
| SCHEMBL840651 | 0.63 | CYP2C19 (0.48) | ALDH1A1P2RX7 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0025345-B1 | N-CYANOALKYL HALOACETAMIDES, PREPARATION THEREOF, USE THEREOF AS HERBICIDE ANTIDOTES AND COMPOSITIONS COMPRISING SAME | STAUFFER CHEMICAL COMPANY (US) | 1984-02-29 | — | — | EP | disclosed |
| US-4335053-A | HERBICIDES | STAUFFER CHEMICAL COMPANY (US) | 1982-06-15 | — | — | US | disclosed |
| US-4288384-A | N-Cyanoalkyl haloacetamides herbicidal antidotes | STAUFFER CHEMICAL COMPANY (US) | 1981-09-08 | — | — | US | disclosed |
| EP-0025345-A1 | N-cyanoalkyl haloacetamides, preparation thereof, use thereof as herbicide antidotes and compositions comprising same | STAUFFER CHEMICAL COMPANY (US) | 1981-03-18 | — | — | EP | disclosed |