Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR3 | P46089 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | BACE1 | P56817 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.38 |
| ▸ | NPY1R | P25929 | 1/20 | 0.38 |
| ▸ | NPY2R | P49146 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | HBB | P68871 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL12027587 | 0.80 | CNR2 (0.42) | GPR3CYP1A2CYP2C19ALDH1A1TDP1 | |
| SCHEMBL573153 | 0.78 | CYP1A2 (0.50) | GPR3CYP1A2CYP2C19POLBBACE1 | |
| SCHEMBL12091659 | 0.78 | GPR3 (0.46) | GPR3CYP1A2CYP2C19POLBBACE1 | |
| SCHEMBL5668880 | 0.78 | CNR1 (0.41) | PGRRORARORCRORB | |
| SCHEMBL27749998 | 0.78 | CNR1 (0.41) | PGRRORARORCRORB | |
| SCHEMBL28231424 | 0.78 | CNR1 (0.41) | PGRRORARORCRORB | |
| SCHEMBL28129667 | 0.78 | CNR1 (0.41) | PGRRORARORCRORB | |
| SCHEMBL18404644 | 0.77 | GPR3 (0.44) | GPR3CYP1A2CYP2C19POLBBACE1 | |
| SCHEMBL14164189 | 0.77 | GPR3 (0.44) | GPR3CYP1A2CYP2C19POLBBACE1 | |
| SCHEMBL127116 | 0.77 | GPR3 (0.44) | GPR3CYP1A2CYP2C19POLBBACE1 |
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-2231140-A1 | SIGMA LIGANDS AND IKK / NF - KB INHIBITORS FOR MEDICAL TREATMENT | University of Dundee (GB) | 2010-09-29 | — | — | EP | disclosed |
| WO-2009074809-A1 | SIGMA LIGANDS AND IKK / NF - KB INHIBITORS FOR MEDICAL TREATMENT | UNIVERSITY OF DUNDEE (GB) | 2009-06-18 | — | — | WO | disclosed |