Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.48 |
| ▸ | TSHR | P16473 | 2/20 | 0.48 |
| ▸ | LCK | P06239 | 1/20 | 0.41 |
| ▸ | PPARD | Q03181 | 1/20 | 0.41 |
| ▸ | ZDHHC20 | Q5W0Z9 | 1/20 | 0.41 |
| ▸ | ZDHHC2 | Q9UIJ5 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | GRN | P28799 | 1/20 | 0.33 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.32 |
| ▸ | HMGCR | P04035 | 1/20 | 0.31 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.31 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.31 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.31 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1691839 | 1.00 | ALDH1A1 (0.48) | ALDH1A1TSHRLCKPPARDZDHHC20 | |
| SCHEMBL6897321 | 1.00 | ALDH1A1 (0.48) | ALDH1A1TSHRLCKPPARDZDHHC20 | |
| SCHEMBL15032840 | 0.81 | ALDH1A1 (0.41) | ALDH1A1TSHRLCKPPARDZDHHC20 | |
| SCHEMBL23250239 | 0.80 | ALDH1A1 (0.44) | ALDH1A1TSHRLCKPPARDZDHHC20 | |
| SCHEMBL21056191 | 0.80 | ALDH1A1 (0.44) | ALDH1A1TSHRLCKPPARDZDHHC20 | |
| SCHEMBL10704737 | 0.77 | — | — | |
| SCHEMBL8370081 | 0.76 | ALDH1A1 (0.50) | ALDH1A1TSHRLCKPPARDZDHHC20 | |
| SCHEMBL640165 | 0.75 | LCK (0.48) | ALDH1A1TSHRLCKPPARDZDHHC20 | |
| SCHEMBL10068398 | 0.75 | LCK (0.48) | ALDH1A1TSHRLCKPPARDZDHHC20 | |
| SCHEMBL7879260 | 0.75 | CHRM1 (0.46) | ALDH1A1GRNSORT1MAPTPTGS1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0146067-A2 | Novel substrates for D-amino acid oxidase | MERRELL DOW PHARMACEUTICALS INC. (US) | 1985-06-26 | — | — | EP | disclosed |