Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 2/20 | 0.63 |
| ▸ | HTR1A | P08908 | 5/20 | 0.44 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.44 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.44 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.44 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.43 |
| ▸ | PTGDR | Q13258 | 1/20 | 0.43 |
| ▸ | HTR1D | P28221 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL27285788 | 0.81 | CA2 (0.54) | CA2HTR1ASIGMAR1ADRA2AADRA2B | |
| SCHEMBL406490 | 0.81 | CA2 (0.56) | CA2HTR1ASIGMAR1ADRA2AADRA2B | |
| SCHEMBL1520875 | 0.80 | CA2 (0.67) | CA2HTR1ASIGMAR1ADRA2AADRA2B | |
| Bicarbonate SCHEMBL6086499 | 0.78 | CA2 (0.56) | CA2HTR1ASIGMAR1ADRA2AADRA2B | |
| SCHEMBL30711451 | 0.77 | CA2 (0.62) | CA2HTR1ASIGMAR1ADRA2AADRA2B | |
| SCHEMBL5274616 | 0.77 | CA2 (1.00) | CA2HTR1ASIGMAR1ADRA2AADRA2B | |
| SCHEMBL3975518 | 0.77 | CA2 (0.62) | CA2HTR1ASIGMAR1ADRA2AADRA2B | |
| SCHEMBL9536357 | 0.76 | ALOX5 (0.63) | CA2HTR1ASIGMAR1ADRA2AADRA2B | |
| SCHEMBL16428909 | 0.76 | CA2 (0.54) | CA2HTR1ASIGMAR1ADRA2AADRA2B | |
| SCHEMBL15211143 | 0.76 | CA2 (0.54) | CA2HTR1ASIGMAR1ADRA2AADRA2B |
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 |
|---|---|---|---|---|---|---|---|
| CN-1038032-C | {(Benzodioxan, benzofuran or benzopyran) alkylamino} alkyl substituted guanidines | JANSSEN PHARMACEUTICA NV (BE) | 1998-04-15 | — | — | CN | disclosed |
| US-5703115-A | VASOCONSTRICTORS | JANSSEN PHARMACEUTICA, N.V. (BE) | 1997-12-30 | — | — | US | disclosed |
| US-5688952-A | VASOCONSTRICTOR INTERMEDIATES | JANSSEN PHARMACEUTICA, N.V. (BE) | 1997-11-18 | — | — | US | disclosed |
| CN-1079470-A | [(benzo two alkane, cumarone or chromene) alkylamino] alkyl substituted guanidines | JANSSEN PHARMACEUTICA NV (BE) | 1993-12-15 | — | — | CN | disclosed |