Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.43 |
| ▸ | BLM | P54132 | 2/20 | 0.43 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.43 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.43 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.43 |
| ▸ | PGR | P06401 | 1/20 | 0.43 |
| ▸ | THRB | P10828 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.43 |
| ▸ | SLC47A1 | Q96FL8 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | SCN5A | Q14524 | 3/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 3/20 | 0.41 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL18248486 | 0.82 | CHRM3 (0.54) | CYP3A4KCNH2OPRK1TSHRBLM | |
| SCHEMBL7643094 | 0.82 | CHRM3 (0.54) | CYP3A4KCNH2OPRK1TSHRBLM | |
| SCHEMBL18248596 | 0.82 | CHRM3 (0.54) | CYP3A4KCNH2OPRK1TSHRBLM | |
| SCHEMBL2073780 | 0.81 | SCN5A (0.37) | CYP3A4KCNH2OPRK1TSHRBLM | |
| SCHEMBL2073783 | 0.80 | MMP1 (0.37) | CYP3A4OPRK1SCN5ASCN9ACHRM2 | |
| SCHEMBL15564302 | 0.77 | SCN5A (0.44) | CYP3A4KCNH2OPRK1TSHRBLM | |
| SCHEMBL15564219 | 0.77 | SCN5A (0.44) | CYP3A4KCNH2OPRK1TSHRBLM | |
| Phosphoric Acid SCHEMBL3688742 | 0.77 | CHRM2 (0.49) | KCNH2SCN5ASCN9AOPRM1DRD3 | |
| Phosphoric Acid SCHEMBL29728497 | 0.77 | CHRM2 (0.49) | KCNH2SCN5ASCN9AOPRM1DRD3 | |
| SCHEMBL2984162 | 0.76 | CHRM3 (0.56) | CYP3A4KCNH2OPRK1TSHRBLM |
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 |
|---|---|---|---|---|---|---|---|
| US-7863294-B2 | Heterocycle derivatives as histone deacetylase (HDAC) inhibitors | INSTITUTO DI RICERCHE DI BIOLOGIA MOLECOLARE P. ANGELETTI SPA (IT) | 2011-01-04 | — | — | US | disclosed |