Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.64 |
| ▸ | TSHR | P16473 | 3/20 | 0.64 |
| ▸ | HMGCR | P04035 | 1/20 | 0.42 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.42 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.42 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.40 |
| ▸ | TET2 | Q6N021 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | FFAR3 | O14843 | 1/20 | 0.36 |
| ▸ | LCK | P06239 | 1/20 | 0.36 |
| ▸ | FYN | P06241 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | CA9 | Q16790 | 1/20 | 0.31 |
| ▸ | GGT1 | P19440 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 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 | |
|---|---|---|---|---|
| SCHEMBL10453248 | 1.00 | ALDH1A1 (0.64) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL606619 | 1.00 | ALDH1A1 (0.64) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL1953736 | 0.85 | TSHR (0.56) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL1953738 | 0.85 | TSHR (0.56) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL2031851 | 0.85 | TSHR (0.56) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL2102481 | 0.85 | TSHR (0.56) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL28116541 | 0.85 | TSHR (0.56) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL3112519 | 0.82 | TSHR (0.53) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL568924 | 0.82 | ALDH1A1 (0.53) | ALDH1A1TSHRHMGCRCHRM1TBXA2R | |
| SCHEMBL569205 | 0.82 | ALDH1A1 (0.53) | ALDH1A1TSHRHMGCRCHRM1TBXA2R |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3976692-B1 | AQUEOUS DISPERSIONS OF PRE-CROSSLINKED ORGANOPOLYSILOXANES | WACKER CHEMIE AG (DE) | 2023-02-22 | — | — | EP | disclosed |
| EP-3976692-A1 | AQUEOUS DISPERSIONS OF PRE-CROSSLINKED ORGANOPOLYSILOXANES | Wacker Chemie AG (DE) | 2022-04-06 | — | — | EP | disclosed |
| CN-112645829-A | Chiral synthesis method of ephedrine key intermediate (S) -2-methylamino-1-phenyl-1-acetone | 浙江普洛康裕制药有限公司 | 2021-04-13 | — | — | CN | disclosed |
| EP-3168215-B1 | PROCESS FOR PREPARATION OF BARNIDIPINE | USV PRIVATE LTD (IN) | 2020-05-20 | — | — | EP | disclosed |
| EP-3168215-A2 | PROCESS FOR PREPARATION OF BARNIDIPINE | USV Private Limited (IN) | 2017-05-17 | — | — | EP | disclosed |
| US-4942227-A | ANTITUMOR AGENTS | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 1990-07-17 | — | — | US | disclosed |