Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.67 |
| ▸ | THRB | P10828 | 1/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.56 |
| ▸ | LMNA | P02545 | 2/20 | 0.56 |
| ▸ | MEN1 | O00255 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.56 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CES2 | O00748 | 3/20 | 0.47 |
| ▸ | CES1 | P23141 | 3/20 | 0.47 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.47 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Dodecane SCHEMBL19810605 | 1.00 | TSHR (0.67) | TSHRTHRBALDH1A1LMNAMEN1 | |
| Decane SCHEMBL3332703 | 1.00 | TSHR (0.67) | TSHRTHRBALDH1A1LMNAMEN1 | |
| Pentadecane SCHEMBL28766827 | 1.00 | TSHR (0.67) | TSHRTHRBALDH1A1LMNAMEN1 | |
| SCHEMBL28719871 | 1.00 | TSHR (0.67) | TSHRTHRBALDH1A1LMNAMEN1 | |
| Hexadecane SCHEMBL3332711 | 1.00 | TSHR (0.67) | TSHRTHRBALDH1A1LMNAMEN1 | |
| Heptane SCHEMBL23152710 | 1.00 | TSHR (0.67) | TSHRTHRBALDH1A1LMNAMEN1 | |
| Decane SCHEMBL6805207 | 1.00 | TSHR (0.67) | TSHRTHRBALDH1A1LMNAMEN1 | |
| SCHEMBL6805215 | 1.00 | TSHR (0.67) | TSHRTHRBALDH1A1LMNAMEN1 | |
| Pentane SCHEMBL20819528 | 0.87 | — | — | |
| Heptane SCHEMBL11042651 | 0.82 | TSHR (0.80) | TSHRTHRBALDH1A1LMNAMEN1 |
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-1259517-B1 | SELECTIVE, CATALYTIC, AND THERMALLY INDUCED FUNCTIONALIZATION OF PRIMARY C-H BONDS IN HYDROCARBONS | SHELL INT RESEARCH (NL) | 2003-09-17 | — | — | EP | disclosed |
| EP-1259517-A1 | SELECTIVE, CATALYTIC, AND THERMALLY INDUCED FUNCTIONALIZATION OF PRIMARY C-H BONDS IN HYDROCARBONS | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 2002-11-27 | — | — | EP | disclosed |
| US-6451937-B1 | BY THERMALLY REACTING A FUNCTIONALIZING REAGENT AND THE HYDROCARBON IN THE PRESENCE OF A TRANSITION METAL COORDINATION CATALYST | SHELL OIL COMPANY | 2002-09-17 | — | — | US | disclosed |
| WO-2001064689-A1 | SELECTIVE, CATALYTIC, AND THERMALLY INDUCED FUNCTIONALIZATION OF PRIMARY C-H BONDS IN HYDROCARBONS | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2001-09-07 | — | — | WO | disclosed |