Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BLM | P54132 | 2/20 | 0.60 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.60 |
| ▸ | HTR1A | P08908 | 2/20 | 0.60 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.60 |
| ▸ | HTR2A | P28223 | 2/20 | 0.60 |
| ▸ | HTR2C | P28335 | 2/20 | 0.60 |
| ▸ | HTR2B | P41595 | 2/20 | 0.60 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.60 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.60 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.60 |
| ▸ | MAPT | P10636 | 1/20 | 0.60 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.60 |
| ▸ | TSHR | P16473 | 1/20 | 0.60 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.60 |
| ▸ | HTR7 | P34969 | 1/20 | 0.60 |
| ▸ | MTOR | P42345 | 1/20 | 0.60 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.60 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.60 |
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 | |
|---|---|---|---|---|
| SCHEMBL3047046 | 0.88 | NPSR1 (0.73) | BLMNPSR1HTR1ANFKB1HTR2A | |
| SCHEMBL28775700 | 0.88 | NPSR1 (0.73) | BLMNPSR1HTR1ANFKB1HTR2A | |
| SCHEMBL21641790 | 0.87 | NLN (0.66) | BLMKDM4ELMNAMAPTTSHR | |
| Water SCHEMBL3033702 | 0.87 | NPSR1 (0.72) | BLMNPSR1HTR1ANFKB1HTR2A | |
| SCHEMBL29479454 | 0.85 | GHSR (0.67) | GHSRNLN | |
| SCHEMBL10974795 | 0.84 | NPSR1 (0.70) | BLMNPSR1HTR1ANFKB1HTR2A | |
| SCHEMBL3041275 | 0.84 | NPSR1 (0.70) | BLMNPSR1HTR1ANFKB1HTR2A | |
| SCHEMBL21641789 | 0.83 | NLN (0.69) | GHSRNLN | |
| Hydrochloric Acid SCHEMBL10974836 | 0.83 | BLM (0.66) | BLMNPSR1HTR1ANFKB1HTR2A | |
| SCHEMBL3038680 | 0.83 | KMT2A (0.66) | BLMNPSR1HTR1ANFKB1HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| CN-101855218-A | Synthesizing of deuterated catechol and benzo [d] [1,3] dioxole and derivative thereof | CONCERT PHARMACEUTICALS INC | 2010-10-06 | — | — | CN | disclosed |
| CN-101273024-A | Novel benzo[D][1,3]-dioxol derivatives | CONCERT PHARMACEUTICALS INC (US) | 2008-09-24 | — | — | CN | disclosed |