Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.52 |
| ▸ | ABAT | P80404 | 1/20 | 0.52 |
| ▸ | EGFR | P00533 | 2/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.41 |
| ▸ | ALDH1A3 | P47895 | 2/20 | 0.38 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.38 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.37 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.37 |
| ▸ | FBP1 | P09467 | 1/20 | 0.36 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.36 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3018995 | 0.80 | EGFR (0.48) | ALDH5A1ABATEGFRALDH1A1KDM4E | |
| SCHEMBL3018992 | 0.80 | EGFR (0.48) | ALDH5A1ABATEGFRALDH1A1KDM4E | |
| SCHEMBL31393473 | 0.78 | TP53 (0.43) | ALDH1A1KDM4EPTGS2RAB9AFBP1 | |
| SCHEMBL10888534 | 0.77 | ALDH1A1 (0.54) | ALDH5A1ABATALDH1A1KDM4ECYP2A6 | |
| SCHEMBL31171 | 0.76 | CYP2A6 (0.69) | ALDH5A1ABATEGFRALDH1A1KDM4E | |
| SCHEMBL4956384 | 0.76 | CYP2A6 (0.69) | ALDH5A1ABATEGFRALDH1A1KDM4E | |
| SCHEMBL3033090 | 0.76 | CYP2A6 (0.44) | ALDH1A1KDM4ECYP2A6RAB9A | |
| SCHEMBL3754984 | 0.76 | ESR1 (0.54) | ALDH5A1ABATALDH1A1KDM4EHSD17B10 | |
| SCHEMBL1503839 | 0.74 | TRPA1 (0.52) | ALDH1A1CYP2A6HSD17B10PTGS2FBP1 | |
| SCHEMBL9634064 | 0.74 | CYP2A6 (0.52) | ALDH5A1ABATEGFRALDH1A1KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0369762-B1 | Pesticides | ROUSSEL UCLAF (FR) | 1993-12-29 | — | — | EP | disclosed |
| US-5202356-A | Insecticides, miticides | THE WELLCOME FOUNDATION LIMITED (GB) | 1993-04-13 | — | — | US | disclosed |
| EP-0369762-A1 | Pesticides | ROUSSEL-UCLAF (FR) | 1990-05-23 | — | — | EP | disclosed |