Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2C | P28335 | 5/20 | 0.67 |
| ▸ | NPSR1 | Q6W5P4 | 5/20 | 0.67 |
| ▸ | HTR1A | P08908 | 4/20 | 0.67 |
| ▸ | HTR2A | P28223 | 4/20 | 0.67 |
| ▸ | HTR2B | P41595 | 4/20 | 0.67 |
| ▸ | TSHR | P16473 | 4/20 | 0.67 |
| ▸ | BLM | P54132 | 4/20 | 0.67 |
| ▸ | MAPT | P10636 | 4/20 | 0.67 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.67 |
| ▸ | LMNA | P02545 | 3/20 | 0.67 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.67 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.67 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.67 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.67 |
| ▸ | HTR7 | P34969 | 2/20 | 0.67 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.67 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.67 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.67 |
| ▸ | MTOR | P42345 | 1/20 | 0.67 |
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 | |
|---|---|---|---|---|
| SCHEMBL19357216 | 0.91 | HTR2C (0.76) | HTR2CNPSR1HTR1AHTR2AHTR2B | |
| SCHEMBL2721523 | 0.86 | BLM (0.67) | HTR2CNPSR1HTR1AHTR2AHTR2B | |
| SCHEMBL30472798 | 0.85 | NPSR1 (0.64) | HTR2CNPSR1HTR1AHTR2AHTR2B | |
| SCHEMBL20657043 | 0.85 | NPSR1 (0.64) | HTR2CNPSR1HTR1AHTR2AHTR2B | |
| SCHEMBL13282480 | 0.84 | HTR2C (0.69) | HTR2CNPSR1HTR1AHTR2AHTR2B | |
| SCHEMBL471920 | 0.84 | NPSR1 (0.72) | HTR2CNPSR1HTR1AHTR2AHTR2B | |
| SCHEMBL6775810 | 0.84 | NPSR1 (0.72) | HTR2CNPSR1HTR1AHTR2AHTR2B | |
| SCHEMBL424584 | 0.84 | MAPT (0.65) | HTR2CHTR1AHTR2AHTR2BTSHR | |
| SCHEMBL816987 | 0.83 | NPSR1 (0.70) | HTR2CNPSR1HTR1AHTR2AHTR2B | |
| SCHEMBL10407437 | 0.83 | NPSR1 (0.70) | HTR2CNPSR1HTR1AHTR2AHTR2B |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2200997-A1 | SYNTHESIS OF DEUTERATED CATECHOLS AND BENZOÝD¨Ý1,3¨DIOXOLES AND DERIVATIVES THEREOF | Concert Pharmaceuticals Inc. (US) | 2010-06-30 | — | — | EP | disclosed |
| WO-2009035652-A1 | SYNTHESIS OF DEUTERATED CATECHOLS AND BENZO[D][1,3] DIOXOLES AND DERIVATIVES THEREOF | CONCERT PHARMACEUTICALS, INC. (US) | 2009-03-19 | — | — | WO | disclosed |