Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 3/20 | 0.60 |
| ▸ | CA1 | P00915 | 3/20 | 0.60 |
| ▸ | CA2 | P00918 | 3/20 | 0.60 |
| ▸ | CA7 | P43166 | 3/20 | 0.60 |
| ▸ | CA9 | Q16790 | 3/20 | 0.60 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | PDCD1 | Q15116 | 1/20 | 0.46 |
| ▸ | CD274 | Q9NZQ7 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | MEN1 | O00255 | 2/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL1817014 | 0.84 | CA12 (0.60) | CA12CA1CA2CA7CA9 | |
| SCHEMBL5114119 | 0.84 | CA12 (0.47) | CA12CA1CA2CA7CA9 | |
| SCHEMBL16606258 | 0.83 | CA12 (0.75) | CA12CA1CA2CA7CA9 | |
| SCHEMBL8459413 | 0.82 | CES2 (0.62) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2612554 | 0.80 | SERPINE1 (0.50) | ALDH1A1ABCG2KMT2AMEN1GAA | |
| SCHEMBL5106640 | 0.80 | CA1 (0.66) | CA12CA1CA2CA7CA9 | |
| SCHEMBL19240773 | 0.79 | CA12 (0.43) | CA12CA1CA2CA7CA9 | |
| Methyl 3,5-Dimethoxybenzoate SCHEMBL204865 | 0.79 | CA1 (0.61) | CA12CA1CA2CA7CA9 | |
| SCHEMBL2612548 | 0.78 | SERPINE1 (0.65) | ALDH1A1KMT2AMEN1GAASMN1; SMN2 | |
| SCHEMBL25142353 | 0.77 | CA12 (0.61) | CA12CA1CA2CA7CA9 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0000745-B1 | SALT OF AN OPTICALLY ACTIVE ISOMER OF PHENYLGLYCINE AND AN OPTICALLY ACTIVE ISOMER OF 2-AMINO BUTANOL AND PROCESS FOR ITS PREPARATION | HOECHST AKTIENGESELLSCHAFT (DE) | 1981-07-15 | — | — | EP | claimed |
| EP-0422040-A4 | HERBICIDAL BICYCLIC 1,3-DIKETONE DERIVATIVES | — | 1991-08-07 | — | — | EP | disclosed |
| EP-0422040-A1 | HERBICIDAL BICYCLIC 1,3-DIKETONE DERIVATIVES | DUNLENA PTY. LIMITED (AU) | 1991-04-17 | — | — | EP | disclosed |
| WO-1989012041-A1 | HERBICIDAL BICYCLIC 1,3-DIKETONE DERIVATIVES | DUNLENA PTY. LIMITED (AU) | 1989-12-14 | — | — | WO | disclosed |