Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.42 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.32 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.32 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.31 |
| ▸ | CTSB | P07858 | 1/20 | 0.30 |
| ▸ | CTSS | P25774 | 1/20 | 0.30 |
| ▸ | CTSK | P43235 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 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 | |
|---|---|---|---|---|
| SCHEMBL20983591 | 0.85 | SLC7A5 (0.43) | NOTUMSLC7A5CA12CA1CA2 | |
| SCHEMBL1071142 | 0.82 | PRKCA (0.43) | NOTUMSLC7A5CA12CA1CA2 | |
| SCHEMBL7595533 | 0.79 | NOTUM (0.47) | NOTUMSLC7A5CA12CA1CA2 | |
| SCHEMBL3070779 | 0.79 | NOTUM (0.47) | NOTUMSLC7A5CA12CA1CA2 | |
| SCHEMBL23412089 | 0.76 | NOTUM (0.58) | NOTUMSLC7A5CA12CA1CA2 | |
| SCHEMBL3010098 | 0.76 | NOTUM (0.71) | NOTUMCA12CA1CA2CA9 | |
| SCHEMBL3058713 | 0.76 | NOTUM (0.46) | NOTUMSLC7A5CA12CA1CA2 | |
| SCHEMBL29903445 | 0.76 | NOTUM (0.58) | NOTUMSLC7A5CA12CA1CA2 | |
| SCHEMBL3074485 | 0.75 | NOTUM (0.54) | NOTUMSLC7A5CA12CA1CA2 | |
| SCHEMBL20522076 | 0.75 | NOTUM (0.45) | NOTUMSLC7A5CA12CA1CA2 |
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-2215049-A1 | P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | Merck Sharp & Dohme Corp. (US) | 2010-08-11 | — | — | EP | disclosed |
| WO-2009058298-A1 | P2X3, RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN | MERCK & CO., INC. (US) | 2009-05-07 | — | — | WO | disclosed |