Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CCR2 | P41597 | 2/20 | 0.34 |
| ▸ | CCR1 | P32246 | 1/20 | 0.34 |
| ▸ | CCR5 | P51681 | 1/20 | 0.34 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.32 |
| ▸ | PDE2A | O00408 | 1/20 | 0.30 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.30 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | PTGES | O14684 | 1/20 | 0.30 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.30 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.30 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL19953055 | 0.65 | PTGS2 (0.37) | PDE2APDE10A | |
| SCHEMBL19953169 | 0.61 | CYP3A4 (0.43) | PDE2APDE10ACYP3A4 | |
| SCHEMBL11186084 | 0.59 | PPOX (0.46) | CCR2CCR1CCR5NOTUM | |
| SCHEMBL19953095 | 0.59 | PDE4B (0.38) | SLC22A12PDE2APDE10ACYP3A4 | |
| SCHEMBL24628518 | 0.58 | CHRNB2 (0.49) | — | |
| SCHEMBL19707985 | 0.58 | CA1 (0.43) | CCR2CCR1CCR5MAPT | |
| SCHEMBL30273429 | 0.58 | MEN1 (0.53) | CYP3A4 | |
| SCHEMBL7729256 | 0.58 | MEN1 (0.53) | CYP3A4 | |
| SCHEMBL30232617 | 0.57 | CHRNB4 (0.44) | — | |
| SCHEMBL16480401 | 0.56 | NOTUM (0.54) | CCR2CCR1CCR5NOTUM |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2018048969-A1 | MULTI-TARGETED HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) | 2018-03-15 | — | — | WO | disclosed |