Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL6224690 | 0.83 | TSHR (0.43) | CYP1A2CYP2C19CYP2A6KMT2ASLC6A3 | |
| SCHEMBL20898978 | 0.82 | HTR2A (0.33) | HTR2ACYP1A2CYP2C19CYP2A6KMT2A | |
| SCHEMBL26127277 | 0.81 | IDO1 (0.34) | SLC6A3 | |
| SCHEMBL6223277 | 0.81 | CYP2A6 (0.38) | CYP2A6KMT2ASLC6A3CNR2 | |
| SCHEMBL6221926 | 0.81 | IDO1 (0.34) | SLC6A3 | |
| SCHEMBL6929616 | 0.80 | TSHR (0.44) | HTR2ACYP2C19KMT2A | |
| SCHEMBL28193193 | 0.76 | ALDH1A1 (0.44) | CYP1A2CYP2C19CYP2A6KMT2ACNR2 | |
| SCHEMBL28858474 | 0.75 | HTR2A (0.40) | HTR2ACYP1A2CYP2A6KMT2A | |
| SCHEMBL28858569 | 0.75 | HTR2A (0.40) | HTR2ACYP1A2CYP2A6KMT2A | |
| SCHEMBL19510640 | 0.74 | CYP1A2 (0.39) | HTR2ACYP1A2CYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2049124-A2 | PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS | Merck & Co., Inc. (US) | 2009-04-22 | — | — | EP | disclosed |
| WO-2008010985-A2 | PHOSPHORUS DERIVATIVES AS HISTONE DEACETYLASE INHIBITORS | MERCK & CO., INC. (US) | 2008-01-24 | — | — | WO | disclosed |
| EP-1423691-A1 | FLUORESCENCE BASED OXYGEN SENSOR SYSTEMS | 3M Innovative Properties Company (US) | 2004-06-02 | — | — | EP | disclosed |
| WO-2003019179-A1 | FLUORESCENCE BASED OXYGEN SENSOR SYSTEMS | 3M INNOVATIVE PROPERTIES COMPANY (US) | 2003-03-06 | — | — | WO | disclosed |