Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CDC25A | P30304 | 1/20 | 0.31 |
| ▸ | CDC25B | P30305 | 1/20 | 0.31 |
| ▸ | CDC25C | P30307 | 1/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.31 |
| ▸ | CA2 | P00918 | 2/20 | 0.30 |
| ▸ | MAPT | P10636 | 2/20 | 0.30 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.30 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.30 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 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 | |
|---|---|---|---|---|
| SCHEMBL19404067 | 0.84 | RECQL (0.43) | ALDH1A1CYP3A4CYP2C9RECQLACHE | |
| SCHEMBL22110217 | 0.82 | ALDH1A1 (0.39) | ALDH1A1CYP3A4CYP2C9RECQLACHE | |
| SCHEMBL17023988 | 0.80 | CYP3A4 (0.42) | ALDH1A1CYP3A4CYP2C9RECQLACHE | |
| SCHEMBL24013189 | 0.78 | MAPT (0.40) | ALDH1A1CYP3A4RECQLACHECYP1A2 | |
| SCHEMBL3152114 | 0.77 | ALDH1A1 (0.39) | ALDH1A1CYP3A4CYP2C9RECQLACHE | |
| SCHEMBL5165476 | 0.75 | RECQL (0.45) | ALDH1A1CYP3A4CYP2C9RECQLCYP1A2 | |
| SCHEMBL19825375 | 0.73 | RECQL (0.43) | ALDH1A1CYP3A4CYP2C9RECQLACHE | |
| SCHEMBL25150205 | 0.72 | RECQL (0.53) | ALDH1A1CYP3A4CYP2C9RECQLACHE | |
| SCHEMBL18733760 | 0.72 | SIGMAR1 (0.40) | ALDH1A1 | |
| SCHEMBL10886210 | 0.71 | RECQL (0.50) | ALDH1A1CYP3A4CYP2C9RECQLACHE |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021226009-A1 | SYNTHESIS OF VINYL CYCLOBUTYL INTERMEDIATES | AMGEN INC. (US) | 2021-11-11 | — | — | WO | disclosed |
| WO-2021225823-A1 | SYNTHESIS OF VINYLIC PROTECTED ALCOHOL INTERMEDIATES | AMGEN INC. (US) | 2021-11-11 | — | — | WO | disclosed |
| EP-3666752-A1 | TRACELESS REDUCTIVELY CLEAVABLE LINKER MOLECULES FOR PEPTIDE PURIFICATION | Belyntic GmbH (DE) | 2020-06-17 | — | — | EP | disclosed |