Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.62 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.50 |
| ▸ | ABAT | P80404 | 1/20 | 0.50 |
| ▸ | CYP2A6 | P11509 | 4/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.44 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.44 |
| ▸ | EGFR | P00533 | 2/20 | 0.40 |
| ▸ | TYR | P14679 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.39 |
| ▸ | UNG | P13051 | 1/20 | 0.39 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.37 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.37 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.37 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.37 |
| ▸ | KCNJ1 | P48048 | 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 | |
|---|---|---|---|---|
| SCHEMBL17521331 | 0.79 | ALDH1A1 (0.56) | ALDH1A1ALDH5A1ABATCYP2A6KDM4E | |
| SCHEMBL6616203 | 0.79 | ALDH1A1 (0.61) | ALDH1A1ALDH5A1ABATCYP2A6KDM4E | |
| Ethylene SCHEMBL28183342 | 0.78 | ALDH1A1 (0.91) | ALDH1A1ALDH5A1ABATCYP2A6PARP10 | |
| SCHEMBL47357 | 0.78 | CYP2A6 (0.54) | ALDH1A1ALDH5A1ABATCYP2A6KDM4E | |
| SCHEMBL19312074 | 0.78 | ALDH1A1 (0.54) | ALDH1A1ALDH5A1ABATCYP2A6KDM4E | |
| Formaldehyde SCHEMBL9331480 | 0.78 | ALDH1A1 (0.91) | ALDH1A1ALDH5A1ABATCYP2A6PARP10 | |
| SCHEMBL14388670 | 0.78 | ALDH1A1 (0.54) | ALDH1A1ALDH5A1ABATCYP2A6KDM4E | |
| SCHEMBL63361 | 0.77 | ALDH1A1 (1.00) | ALDH1A1ALDH5A1ABATCYP2A6PARP10 | |
| Terephthalic Acid SCHEMBL11068404 | 0.77 | ALDH1A1 (1.00) | ALDH1A1ALDH5A1ABATCYP2A6PARP10 | |
| SCHEMBL13826229 | 0.77 | ALDH1A1 (0.58) | ALDH1A1ALDH5A1ABATHSD17B10 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1575964-B1 | N-(BENZYL)AMINOALKYL CARBOXYLATE, PHOSPHINATES, PHOSPHONATES AND TETRAZOLES AS EDG RECEPTOR AGONISTS | MERCK & CO INC (US) | 2009-11-11 | — | — | EP | disclosed |
| US-7202265-B2 | Indolinone combinatorial libraries and related products and methods for the treatment of disease | SUGEN, INC. (US) | 2007-04-10 | — | — | US | disclosed |