Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 2/20 | 0.40 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.40 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | LDHA | P00338 | 1/20 | 0.33 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | CNR2 | P34972 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | TRPM8 | Q7Z2W7 | 1/20 | 0.33 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.33 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.33 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.33 |
| ▸ | TRPV2 | Q9Y5S1 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.32 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL8810009 | 0.77 | HIF1A (0.41) | PTGS1PTGS2XDHCYP3A4 | |
| SCHEMBL4799682 | 0.73 | PTGS1 (0.50) | PTGS1PTGS2XDHTRPA1LDHA | |
| SCHEMBL4795100 | 0.67 | PTGS1 (0.40) | PTGS1PTGS2XDHTRPA1LDHA | |
| SCHEMBL30236360 | 0.65 | — | — | |
| SCHEMBL14178670 | 0.65 | HIF1A (0.47) | PTGS1PTGS2XDHBACE1 | |
| SCHEMBL1078099 | 0.64 | SLC6A2 (0.38) | PTGS1PTGS2XDHTRPA1LDHA | |
| SCHEMBL14178667 | 0.64 | HIF1A (0.48) | PTGS1PTGS2XDH | |
| SCHEMBL7300006 | 0.64 | HIF1A (0.41) | CYP3A4 | |
| SCHEMBL2558890 | 0.64 | PTGS1 (0.46) | PTGS1PTGS2XDHBACE1 | |
| SCHEMBL8910299 | 0.64 | CYP17A1 (0.33) | — |
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-2018026371-A1 | DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS | SUNOVION PHARMACEUTICALS INC. (US) | 2018-02-08 | — | — | WO | disclosed |