Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 4/20 | 0.48 |
| ▸ | RAB9A | P51151 | 4/20 | 0.48 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CNR1 | P21554 | 4/20 | 0.47 |
| ▸ | CNR2 | P34972 | 4/20 | 0.46 |
| ▸ | ABHD6 | Q9BV23 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | MAOA | P21397 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL30428181 | 0.88 | CHRM1 (0.47) | CNR1 | |
| SCHEMBL21873411 | 0.88 | CHRM1 (0.47) | CNR1 | |
| SCHEMBL22212650 | 0.88 | NPC1 (0.49) | SMN1; SMN2KMT2ATP53THRBNPC1 | |
| SCHEMBL21935658 | 0.88 | ADORA2A (0.42) | SMN1; SMN2KMT2ATP53THRBCNR1 | |
| SCHEMBL31668971 | 0.87 | CHRM1 (0.46) | CNR1 | |
| SCHEMBL21873468 | 0.87 | CHRM1 (0.46) | CNR1 | |
| SCHEMBL21935399 | 0.86 | ADORA2A (0.43) | NPC1RAB9AALDH1A1CNR1CNR2 | |
| SCHEMBL19932685 | 0.84 | NPC1 (0.46) | SMN1; SMN2KMT2ATP53THRBNPC1 | |
| SCHEMBL21873488 | 0.83 | SLC5A1 (0.39) | SMN1; SMN2RAB9AALDH1A1KDM4ECYP1A2 | |
| SCHEMBL30429049 | 0.83 | SLC5A1 (0.39) | SMN1; SMN2RAB9AALDH1A1KDM4ECYP1A2 |
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 |