Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.56 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.56 |
| ▸ | PTGDR2 | Q9Y5Y4 | 8/20 | 0.46 |
| ▸ | PTGDR | Q13258 | 5/20 | 0.46 |
| ▸ | PTGER2 | P43116 | 1/20 | 0.46 |
| ▸ | CEL | P19835 | 2/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.43 |
| ▸ | EBP | Q15125 | 1/20 | 0.43 |
| ▸ | HTR2A | P28223 | 1/20 | 0.43 |
| ▸ | HTR2C | P28335 | 1/20 | 0.43 |
| ▸ | HTR2B | P41595 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL432639 | 0.98 | GAA (0.58) | GAATSHRAGTR1PTGDR2PTGDR | |
| SCHEMBL432356 | 0.94 | GAA (0.53) | GAATSHRAGTR1PTGDR2PTGDR | |
| SCHEMBL433540 | 0.89 | GAA (0.52) | GAATSHRAGTR1HTR2AHTR2C | |
| SCHEMBL3795015 | 0.85 | CHRNB2 (0.55) | GAATSHRAGTR1PTGDR2PTGDR | |
| SCHEMBL126782 | 0.83 | PTGDR2 (0.50) | GAATSHRAGTR1PTGDR2PTGDR | |
| SCHEMBL3793544 | 0.83 | CHRNB2 (0.57) | GAATSHRAGTR1PTGDR2PTGDR | |
| SCHEMBL3786167 | 0.82 | SLC6A2 (0.50) | GAATSHRAGTR1CELSIGMAR1 | |
| SCHEMBL15566598 | 0.81 | PTGDR2 (0.49) | GAATSHRAGTR1PTGDR2PTGDR | |
| SCHEMBL24736536 | 0.80 | OPRL1 (0.48) | PTGDR2CELSIGMAR1TMEM97EBP | |
| SCHEMBL8331330 | 0.80 | SLC6A2 (0.49) | GAATSHRAGTR1CELSIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-104945309-A | Novel nitroso compounds as nitroxyl donors and methods of use thereof | CARDIOXYL PHARMACEUTICALS INC | 2015-09-30 | — | — | CN | disclosed |
| CN-102076342-B | Novel nitroso compounds as nitroxyl donors and methods of use thereof | CARDIOXYL PHARMACEUTICALS INC | 2015-06-10 | — | — | CN | disclosed |
| EP-2595984-A1 | MICROBICIDES | Syngenta Participations AG (CH) | 2013-05-29 | — | — | EP | disclosed |
| EP-2595985-A1 | ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES | Syngenta Participations AG (CH) | 2013-05-29 | — | — | EP | disclosed |
| WO-2012010567-A1 | ISOXAZOLE, ISOTHIAZOLE, FURANE AND THIOPHENE COMPOUNDS AS MICROBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-01-26 | — | — | WO | disclosed |
| WO-2012010568-A1 | MICROBICIDES | SYNGENTA PARTICIPATIONS AG (CH) | 2012-01-26 | — | — | WO | disclosed |
| CN-102076342-A | Novel nitroso compounds as nitroxyl donors and methods of use thereof | CARDIOXYL PHARMACEUTICALS INC | 2011-05-25 | — | — | CN | disclosed |
| US-4921935-A | Preparation of polyarylene sulphides with ketone or pinacone | BAYER AKTIENGESELLSCHAFT (DE) | 1990-05-01 | — | — | US | disclosed |