Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | MGLL | Q99685 | 1/20 | 0.43 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | NOS2 | P35228 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | HSD11B1 | P28845 | 3/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| SCHEMBL2531344 | 0.96 | CES2 (0.53) | CES2CES1MGLLHDAC8HDAC6 | |
| SCHEMBL3224880 | 0.96 | CES2 (0.53) | CES2CES1MGLLHDAC8HDAC6 | |
| SCHEMBL1317993 | 0.96 | CES2 (0.53) | CES2CES1MGLLHDAC8HDAC6 | |
| SCHEMBL28990391 | 0.96 | CES2 (0.53) | CES2CES1MGLLHDAC8HDAC6 | |
| SCHEMBL3227064 | 0.96 | CES2 (0.53) | CES2CES1MGLLHDAC8HDAC6 | |
| SCHEMBL3231716 | 0.96 | CES2 (0.53) | CES2CES1MGLLHDAC8HDAC6 | |
| SCHEMBL3233671 | 0.92 | CES2 (0.47) | CES2CES1MGLLHDAC8HDAC6 | |
| SCHEMBL15911101 | 0.84 | NOS2 (0.44) | CES2CES1MGLLHDAC8HDAC6 | |
| SCHEMBL10482505 | 0.83 | NOS2 (0.38) | NOS2 | |
| SCHEMBL15703282 | 0.72 | CES2 (0.53) | CES2CES1MGLLHDAC8HDAC6 |
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-1599465-A1 | SUBSTITUTED N-ARYL NITROGEN HETEROCYCLES | Bayer CropScience AG (DE) | 2005-11-30 | — | — | EP | disclosed |
| WO-2004074274-A1 | SUBSTITUTED N-ARYL NITROGEN HETEROCYCLES | BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) | 2004-09-02 | — | — | WO | disclosed |