Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CFTR | P13569 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
| ▸ | GOPC | Q9HD26 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.36 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL9624292 | 0.80 | LMNA (0.36) | NPC1RAB9AHTTNFE2L2ALDH1A1 | |
| SCHEMBL30046611 | 0.79 | CYP3A4 (0.52) | ALDH1A1CYP3A4CYP2A6CYP1A2LMNA | |
| SCHEMBL2454266 | 0.79 | CYP3A4 (0.52) | ALDH1A1CYP3A4CYP2A6CYP1A2LMNA | |
| SCHEMBL617000 | 0.79 | ALDH1A1 (0.50) | CFTRSLC6A2SLC6A4SLC6A3GOPC | |
| SCHEMBL30319508 | 0.79 | ALDH1A1 (0.50) | CFTRSLC6A2SLC6A4SLC6A3GOPC | |
| SCHEMBL25620250 | 0.77 | CYP3A4 (0.57) | CFTRSLC6A2SLC6A4SLC6A3GOPC | |
| SCHEMBL617213 | 0.77 | CYP3A4 (0.57) | CFTRSLC6A2SLC6A4SLC6A3GOPC | |
| SCHEMBL9624223 | 0.77 | CYP3A4 (0.41) | CFTRSLC6A2SLC6A4SLC6A3GOPC | |
| SCHEMBL9623981 | 0.77 | TDP1 (0.41) | CFTRSLC6A2SLC6A4SLC6A3GOPC | |
| SCHEMBL15652709 | 0.77 | ALDH1A1 (0.48) | CFTRSLC6A2SLC6A4SLC6A3GOPC |
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 |