Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | HDAC4 | P56524 | 4/20 | 0.33 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.33 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.33 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.33 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.33 |
| ▸ | NCOR2 | Q9Y618 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TDO2 | P48775 | 1/20 | 0.32 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.31 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.31 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.31 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL8629431 | 0.73 | BRD4 (0.39) | BRD4CES2CES1HDAC4HDAC3 | |
| SCHEMBL30057873 | 0.72 | CES2 (0.52) | BRD4CES2CES1CYP3A4IDO1 | |
| SCHEMBL1902230 | 0.72 | CES2 (0.52) | BRD4CES2CES1CYP3A4IDO1 | |
| SCHEMBL8629576 | 0.70 | BRD4 (0.44) | BRD4CES2CES1HDAC4HDAC3 | |
| SCHEMBL11602791 | 0.65 | CES2 (0.54) | CES2CES1CYP3A4IDO1TDO2 | |
| SCHEMBL477718 | 0.65 | IDO1 (0.50) | BRD4CES2CES1IDO1TDO2 | |
| SCHEMBL30910884 | 0.65 | IDO1 (0.50) | BRD4CES2CES1IDO1TDO2 | |
| SCHEMBL3858520 | 0.65 | IDO1 (0.50) | BRD4CES2CES1IDO1TDO2 | |
| SCHEMBL30986701 | 0.65 | IDO1 (0.50) | BRD4CES2CES1IDO1TDO2 | |
| SCHEMBL14088059 | 0.64 | CES2 (0.48) | CES2CES1CYP3A4IDO1TDO2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5712299-A | TREATMENT OF NEURODEGENERATIVE DISORDERS | ASTRA AKTIEBOLAG (SE) | 1998-01-27 | — | — | US | disclosed |
| EP-0707574-A1 | NOVEL (1-PHENYL-1-HETEROCYCLYL)METHANOL AND (1-PHENYL-1-HETEROCYCLYL)METHYLAMINE DERIVATIVES | Astra Aktiebolag (SE) | 1996-04-24 | — | — | EP | disclosed |
| WO-1995001968-A1 | NOVEL (1-PHENYL-1-HETEROCYCLYL)METHANOL AND (1-PHENYL-1-HETEROCYCLYL)METHYLAMINE DERIVATIVES | ASTRA AKTIEBOLAG (SE) | 1995-01-19 | — | — | WO | disclosed |