Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM5 | P41594 | 2/20 | 0.41 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.40 |
| ▸ | MKNK1 | Q9BUB5 | 2/20 | 0.38 |
| ▸ | FYN | P06241 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.37 |
| ▸ | SRC | P12931 | 2/20 | 0.37 |
| ▸ | BTK | Q06187 | 2/20 | 0.37 |
| ▸ | LYN | P07948 | 1/20 | 0.37 |
| ▸ | IDH1 | O75874 | 1/20 | 0.36 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.36 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.35 |
| ▸ | RELA | Q04206 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4748840 | 0.79 | HCAR3 (0.53) | HCAR3MKNK1GPR55IDH1MKNK2 | |
| SCHEMBL30721187 | 0.79 | HCAR3 (0.53) | HCAR3MKNK1GPR55IDH1MKNK2 | |
| Hydrochloric Acid SCHEMBL3718104 | 0.77 | ADRA2A (0.53) | HCAR3MKNK1GPR55IDH1MKNK2 | |
| Hydrochloric Acid SCHEMBL3938816 | 0.77 | ADRA2A (0.53) | HCAR3MKNK1GPR55IDH1MKNK2 | |
| SCHEMBL20157086 | 0.76 | HCAR3 (0.56) | HCAR3MKNK1FYNGPR55IDH1 | |
| SCHEMBL24661308 | 0.75 | TDO2 (0.41) | GRM5HCAR3MKNK1GPR55IDH1 | |
| SCHEMBL10055036 | 0.73 | GPR55 (0.60) | FYNGPR55NPC1GAARAB9A | |
| SCHEMBL20156855 | 0.72 | FERMT2 (0.44) | HCAR3MKNK1GPR55SRCLYN | |
| SCHEMBL1413811 | 0.71 | — | — | |
| SCHEMBL20385536 | 0.71 | MKNK1 (0.51) | MKNK1SRCBTKLYNMKNK2 |
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-2015080988-A1 | BICYCLOAMINE-SUBSTITUTED-N-BENZENESULFONAMIDE COMPOUNDS WITH SELECTIVE ACTIVITY IN VOLTAGE-GATED SODIUM CHANNELS | MERCK SHARP & DOHME CORP. (US) | 2015-06-04 | — | — | WO | disclosed |