Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ACLY | P53396 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 3/20 | 0.40 |
| ▸ | CA2 | P00918 | 3/20 | 0.40 |
| ▸ | CA9 | Q16790 | 3/20 | 0.40 |
| ▸ | CA12 | O43570 | 2/20 | 0.40 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | AR | P10275 | 1/20 | 0.39 |
| ▸ | CTSG | P08311 | 1/20 | 0.38 |
| ▸ | CMA1 | P23946 | 1/20 | 0.38 |
| ▸ | PGR | P06401 | 2/20 | 0.38 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.38 |
| ▸ | STAT3 | P40763 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.37 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.37 |
| ▸ | EEF2K | O00418 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| Benzonitrile SCHEMBL6899297 | 0.83 | TSHR (0.67) | TSHRMAPTACLYCA1CA2 | |
| Benzonitrile SCHEMBL4710240 | 0.83 | TSHR (0.67) | TSHRMAPTCA1CA2CA9 | |
| Benzonitrile SCHEMBL7635217 | 0.78 | TSHR (0.58) | TSHRMAPTCA1CA2CA9 | |
| Benzonitrile SCHEMBL27923901 | 0.76 | TSHR (0.70) | TSHRMAPTCA1CA2CA9 | |
| Benzonitrile SCHEMBL28806619 | 0.76 | TSHR (0.70) | TSHRMAPTCA1CA2CA9 | |
| Benzonitrile SCHEMBL65862 | 0.76 | TSHR (0.70) | TSHRMAPTCA1CA2CA9 | |
| Benzonitrile SCHEMBL7635221 | 0.76 | TSHR (0.70) | TSHRMAPTCA1CA2CA9 | |
| Benzonitrile SCHEMBL12469615 | 0.76 | TSHR (0.70) | TSHRMAPTCA1CA2CA9 | |
| Benzonitrile SCHEMBL29059725 | 0.75 | TSHR (0.88) | TSHRMAPTCA1CA2CA9 | |
| Benzonitrile SCHEMBL9438699 | 0.75 | TSHR (0.88) | TSHRMAPTCA2CA9CA12 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1222157-B1 | PROCESS FOR THE CARBONYLATION OF AN ACETYLENICALLY UNSATURATED COMPOUND | SHELL INT RESEARCH (NL) | 2004-04-28 | — | — | EP | disclosed |
| EP-0877728-B1 | PROCESS FOR THE CARBONYLATION OF ACETYLENICALLY UNSATURATED COMPOUNDS | SHELL INT RESEARCH (NL) | 2000-04-05 | — | — | EP | disclosed |
| US-5952522-A | CATALYZING THE REACTION WITH CARBON MONOXIDE AND A CO-REACTANT IN THE PRESENCE OF A CATALYST SYSTEM COMPRISING A SOURCE OF PLATINUM, A BIDENTATE LIGAND AND A SOURCE OF ANIONS | SHELL OIL COMPANY (US) | 1999-09-14 | — | — | US | disclosed |
| EP-0877728-A1 | PROCESS FOR THE CARBONYLATION OF ACETYLENICALLY UNSATURATED COMPOUNDS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 1998-11-18 | — | — | EP | disclosed |
| WO-1997020803-A1 | PROCESS FOR THE CARBONYLATION OF ACETYLENICALLY UNSATURATED COMPOUNDS | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 1997-06-12 | — | — | WO | disclosed |