Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH1 | P35367 | 6/20 | 0.45 |
| ▸ | HTR2A | P28223 | 6/20 | 0.42 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.39 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 2/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.37 |
| ▸ | HTR1A | P08908 | 1/20 | 0.37 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.37 |
| ▸ | SMPD1 | P17405 | 1/20 | 0.37 |
| ▸ | DRD1 | P21728 | 1/20 | 0.37 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | SLC6A4 | P31645 | 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 | |
|---|---|---|---|---|
| SCHEMBL9572884 | 0.82 | RIPK1 (0.47) | TAAR1ALDH1A1 | |
| SCHEMBL9572983 | 0.80 | CCR5 (0.40) | TAAR1CYP3A4CHRM2CHRM1LMNA | |
| SCHEMBL1683176 | 0.78 | CA12 (0.42) | HRH1HTR2ATAAR1CYP3A4CYP1A2 | |
| SCHEMBL9572898 | 0.78 | AOC3 (0.36) | CHRM2CHRM1LMNACYP1A2CYP2D6 | |
| SCHEMBL2092257 | 0.76 | RIPK1 (0.44) | TAAR1ALDH1A1 | |
| SCHEMBL29280865 | 0.75 | HRH1 (0.54) | HRH1HTR2AMTNR1AMTNR1BTAAR1 | |
| SCHEMBL2421009 | 0.75 | HRH1 (0.54) | HRH1HTR2AMTNR1AMTNR1BTAAR1 | |
| SCHEMBL9572677 | 0.74 | RIPK1 (0.43) | TAAR1ALDH1A1SIGMAR1 | |
| SCHEMBL9572673 | 0.73 | CCR5 (0.38) | TAAR1CHRM2CHRM1LMNACYP1A2 | |
| SCHEMBL96855 | 0.73 | SCN1A (0.40) | HRH1HTR2ATAAR1KCNH2CHRM2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2346877-A1 | PROCESS FOR THE PREPARATION OF (3R,3AS,6AR)-HEXAHYDROFURO [2,3-B]FURAN-3-YL (1S,2R)-3-[[(4-AMINOPHENYL) SULFONYL](ISOBUTYL) AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE | Tibotec Pharmaceuticals (IE) | 2011-07-27 | — | — | EP | disclosed |
| WO-2010023322-A1 | PROCESS FOR THE PREPARATION OF (3R,3AS,6AR)-HEXAHYDROFURO [2,3-B] FURAN-3-YL (1S,2R)-3-[[(4-AMINOPHENYL) SULFONYL] (ISOBUTYL) AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE | TIBOTEC PHARMACEUTICALS (IE) | 2010-03-04 | — | — | WO | disclosed |
| EP-0203723-A1 | 2,3-(dihydro)bicyclic pyrazolidinones | ELI LILLY AND COMPANY (US) | 1986-12-03 | — | — | EP | disclosed |