Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 6/20 | 0.54 |
| ▸ | SLC6A4 | P31645 | 6/20 | 0.54 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.54 |
| ▸ | TSHR | P16473 | 2/20 | 0.52 |
| ▸ | CHRM2 | P08172 | 5/20 | 0.49 |
| ▸ | SCN1A | P35498 | 3/20 | 0.49 |
| ▸ | SCN2A | Q99250 | 3/20 | 0.49 |
| ▸ | SCN3A | Q9NY46 | 3/20 | 0.49 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.45 |
| ▸ | KCNH2 | Q12809 | 5/20 | 0.44 |
| ▸ | KCNA5 | P22460 | 5/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 4/20 | 0.42 |
| ▸ | HRH1 | P35367 | 4/20 | 0.42 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.42 |
| ▸ | ADRA2B | P18089 | 3/20 | 0.42 |
| ▸ | HTR2A | P28223 | 3/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL6377512 | 0.90 | SLC6A2 (0.59) | SLC6A2SLC6A4SLC6A3TSHRCHRM2 | |
| SCHEMBL8146537 | 0.79 | SLC6A2 (0.47) | SLC6A2SLC6A4SLC6A3TSHRCHRM2 | |
| SCHEMBL19303202 | 0.78 | TSHR (0.48) | SLC6A2SLC6A4SLC6A3TSHRCHRM2 | |
| SCHEMBL8160945 | 0.78 | TSHR (0.57) | SLC6A2SLC6A4SLC6A3TSHRCHRM2 | |
| SCHEMBL3910230 | 0.77 | TSHR (0.62) | SLC6A2SLC6A4SLC6A3TSHRCHRM2 | |
| SCHEMBL6933091 | 0.77 | SLC6A2 (0.54) | SLC6A2SLC6A4SLC6A3TSHRCHRM2 | |
| SCHEMBL3092414 | 0.77 | SLC6A2 (0.54) | SLC6A2SLC6A4SLC6A3TSHRCHRM2 | |
| SCHEMBL23969993 | 0.74 | KCNH2 (0.55) | SLC6A2SLC6A4SLC6A3TSHRCHRM2 | |
| SCHEMBL20475076 | 0.74 | SLC6A2 (0.54) | SLC6A2SLC6A4SLC6A3TSHRCHRM2 | |
| SCHEMBL15524751 | 0.73 | — | — |
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-0696474-B1 | Catalytic systems and methods for carbonylation | DAICEL CHEM (JP) | 2000-05-17 | — | — | EP | disclosed |
| EP-0948999-A1 | Catalytic systems and method for carbonylation | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1999-10-13 | — | — | EP | disclosed |
| US-5869738-A | OF AN OLEFIN WITH CARBON MONOXIDE PRODUCING AN ACID | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1999-02-09 | — | — | US | disclosed |
| US-5731255-A | GROUP VIII METAL SOURCE, LIGAND, ACID | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1998-03-24 | — | — | US | disclosed |
| EP-0696474-A2 | Catalytic systems and methods for carbonylation | DAICEL CHEMICAL INDUSTRIES, LTD. (JP) | 1996-02-14 | — | — | EP | disclosed |