Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | ESR1 | P03372 | 2/20 | 0.33 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.33 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.33 |
| ▸ | PRKACA | P17612 | 2/20 | 0.33 |
| ▸ | CDK2 | P24941 | 2/20 | 0.33 |
| ▸ | GSK3B | P49841 | 2/20 | 0.33 |
| ▸ | AURKA | O14965 | 1/20 | 0.33 |
| ▸ | CDK1 | P06493 | 1/20 | 0.33 |
| ▸ | LYN | P07948 | 1/20 | 0.33 |
| ▸ | PIM1 | P11309 | 1/20 | 0.33 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.33 |
| ▸ | MARK3 | P27448 | 1/20 | 0.33 |
| ▸ | AKT1 | P31749 | 1/20 | 0.33 |
| ▸ | RPS6KA3 | P51812 | 1/20 | 0.33 |
| ▸ | PRKCZ | Q05513 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9624088 | 0.96 | CYP3A4 (0.41) | CYP3A4TDP1GAAKDM4EALDH1A1 | |
| SCHEMBL9623981 | 0.85 | TDP1 (0.41) | CYP3A4TDP1GAAKDM4EALDH1A1 | |
| SCHEMBL9624144 | 0.81 | TDP1 (0.41) | CYP3A4TDP1GAAKDM4EALDH1A1 | |
| SCHEMBL16770290 | 0.78 | CYP3A4 (0.46) | CYP3A4TDP1GAAKDM4EALDH1A1 | |
| SCHEMBL9623533 | 0.77 | CFTR (0.38) | CYP3A4ALDH1A1GSK3BNOTUMCFTR | |
| SCHEMBL9624292 | 0.76 | LMNA (0.36) | CYP3A4TDP1GAAKDM4EALDH1A1 | |
| SCHEMBL30046611 | 0.74 | CYP3A4 (0.52) | CYP3A4TDP1GAAKDM4EALDH1A1 | |
| SCHEMBL2454266 | 0.74 | CYP3A4 (0.52) | CYP3A4TDP1GAAKDM4EALDH1A1 | |
| SCHEMBL9624210 | 0.73 | CA12 (0.40) | CYP3A4TDP1GAAKDM4ECDK2 | |
| SCHEMBL617213 | 0.73 | CYP3A4 (0.57) | CYP3A4TDP1GAAKDM4EALDH1A1 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0307026-B1 | PROCESS FOR THE PREPARATION OF A BUTENE | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1992-03-18 | — | — | EP | disclosed |
| EP-0271144-B1 | PROCESS FOR THE CARBONYLATION OF ACETYLENICALLY UNSATURATED COMPOUNDS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-10-16 | — | — | EP | disclosed |
| EP-0282142-B1 | PROCESS FOR THE CARBONYLATION OF OLEFINICALLY UNSATURATED COMPOUNDS WITH A PALLADIUM CATALYST | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1991-09-11 | — | — | EP | disclosed |
| US-4940787-A | Process for the carbonylation of acetylenic unsaturated compounds | SHELL OIL COMPANY (US) | 1990-07-10 | — | — | US | disclosed |
| EP-0307026-A1 | Process for the preparation of a butene | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1989-03-15 | — | — | EP | disclosed |
| US-4786443-A | Process for the carbonylation of olefinically unsaturated compounds with a palladium catalyst | SHELL OIL COMPANY (US) | 1988-11-22 | — | — | US | disclosed |
| EP-0282142-A1 | Process for the carbonylation of olefinically unsaturated compounds with a palladium catalyst | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1988-09-14 | — | — | EP | disclosed |
| EP-0271144-A2 | Process for the carbonylation of acetylenically unsaturated compounds | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1988-06-15 | — | — | EP | disclosed |