Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | CNR1 | P21554 | 4/20 | 0.40 |
| ▸ | CNR2 | P34972 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | HPGDS | O60760 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | ACKR3 | P25106 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL21935658 | 0.99 | ADORA2A (0.42) | ADORA2ACHRM1CHRNA7CNR1CNR2 | |
| SCHEMBL21873484 | 0.90 | CHRM1 (0.54) | CHRM1KCNH2 | |
| SCHEMBL30429061 | 0.90 | CHRM1 (0.54) | CHRM1KCNH2 | |
| SCHEMBL21873403 | 0.88 | CHRM1 (0.54) | CHRM1 | |
| SCHEMBL31668954 | 0.88 | CHRM1 (0.54) | CHRM1 | |
| SCHEMBL21935667 | 0.86 | SMN1; SMN2 (0.48) | CNR1CNR2NPC1RAB9AHPGDS | |
| SCHEMBL30427560 | 0.85 | PARP1 (0.39) | CHRM1CHRNA7NPC1RAB9AKCNH2 | |
| SCHEMBL21873532 | 0.85 | PARP1 (0.39) | CHRM1CHRNA7NPC1RAB9AKCNH2 | |
| SCHEMBL21873618 | 0.84 | GRM2 (0.39) | CHRNA7NPC1KCNH2 | |
| SCHEMBL30428268 | 0.84 | GRM2 (0.39) | CHRNA7NPC1KCNH2 |
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-3643718-B1 | HETEROCYCLIC COMPOUND AND ITS USE AS POSITIVE ALLOSTERIC MODULATOR OF THE CHOLINERGIC MUSCARINIC M1 RECEPTOR. | TAKEDA PHARMACEUTICALS CO (JP) | 2023-07-26 | — | — | EP | disclosed |
| EP-3643718-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2020-04-29 | — | — | EP | disclosed |