Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HPGD | P15428 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.43 |
| ▸ | CFTR | P13569 | 1/20 | 0.42 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.42 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.42 |
| ▸ | FDPS | P14324 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.41 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Acetoacetic Acid SCHEMBL11499836 | 0.90 | ALDH1A1 (0.44) | ALDH1A1KDM4EGAAMAPTRAB9A | |
| SCHEMBL29565534 | 0.84 | — | — | |
| SCHEMBL39547 | 0.84 | — | — | |
| SCHEMBL28244511 | 0.83 | ALDH1A1 (0.46) | ALDH1A1KDM4EGAAMAPTRAB9A | |
| Dimethylamine SCHEMBL11246881 | 0.82 | SMN1; SMN2 (0.43) | ALDH1A1KDM4EGAAMAPTRAB9A | |
| Bromide SCHEMBL28472529 | 0.82 | CYP3A4 (0.47) | ALDH1A1KDM4EGAAMAPTRAB9A | |
| Iodide SCHEMBL29238182 | 0.82 | CYP3A4 (0.47) | ALDH1A1KDM4EGAAMAPTRAB9A | |
| Water SCHEMBL17512841 | 0.82 | CYP3A4 (0.47) | ALDH1A1KDM4EGAAMAPTRAB9A | |
| Hydrochloric Acid SCHEMBL1585890 | 0.82 | CYP3A4 (0.48) | ALDH1A1KDM4EGAAMAPTRAB9A | |
| Water SCHEMBL27919614 | 0.82 | CYP3A4 (0.47) | ALDH1A1KDM4EGAAMAPTRAB9A |
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-0705257-A1 | AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-04-10 | — | — | EP | disclosed |
| WO-1995000505-A1 | AMINOACID DERIVATIVES AS NO SYNTHASE INHIBITORS | THE WELLCOME FOUNDATION LIMITED (GB) | 1995-01-05 | — | — | WO | disclosed |