Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL2017851 | 0.95 | PKM (0.34) | PKMTDP1ALDH1A1SMN1; SMN2 | |
| SCHEMBL23199589 | 0.73 | TSHR (0.38) | PKMTSHRNFKB1CYP2C19TDP1 | |
| SCHEMBL12699161 | 0.73 | TSHR (0.38) | PKMTSHRNFKB1CYP2C19TDP1 | |
| SCHEMBL21670229 | 0.70 | FFAR3 (0.39) | TSHRNFKB1CYP2C19 | |
| SCHEMBL540102 | 0.69 | — | — | |
| SCHEMBL15340982 | 0.69 | ALDH1A1 (0.43) | PKMTSHRNFKB1CYP2C19TDP1 | |
| SCHEMBL16533608 | 0.68 | PKM (0.36) | PKMTSHRNFKB1CYP2C19TDP1 | |
| SCHEMBL12603759 | 0.68 | FFAR3 (0.38) | TSHRNFKB1CYP2C19 | |
| Hydrochloric Acid SCHEMBL4622019 | 0.67 | — | — | |
| SCHEMBL3209516 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1085546-A | Aminediol protease inhibitors | SQUIBB & SONS INC (US) | 1994-04-20 | — | — | CN | claimed |
| CN-1085546-A | Aminediol protease inhibitors | SQUIBB & SONS INC (US) | 1994-04-20 | — | — | CN | disclosed |