Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM4 | P08173 | 1/20 | 0.58 |
| ▸ | SLC18A3 | Q16572 | 2/20 | 0.52 |
| ▸ | BRD4 | O60885 | 1/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | NPC1 | O15118 | 2/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.50 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL4035554 | 0.85 | SMN1; SMN2 (0.72) | CHRM4SMN1; SMN2ALDH1A1RAB9ANPC1 | |
| SCHEMBL4392358 | 0.84 | PRMT5 (0.56) | ALDH1A1POLBL3MBTL1GAAMAPT | |
| SCHEMBL5451965 | 0.84 | CHRM4 (0.55) | CHRM4SLC18A3BRD4SMN1; SMN2ALDH1A1 | |
| SCHEMBL21159622 | 0.82 | BRD4 (0.61) | CHRM4SLC18A3BRD4SMN1; SMN2ALDH1A1 | |
| SCHEMBL8922008 | 0.81 | CHRM4 (0.59) | CHRM4SLC18A3BRD4SMN1; SMN2ALDH1A1 | |
| SCHEMBL31073550 | 0.81 | KCNH2 (0.56) | CHRM4SLC18A3BRD4SMN1; SMN2ALDH1A1 | |
| SCHEMBL28171449 | 0.81 | KCNH2 (0.52) | CHRM4SLC18A3SMN1; SMN2ALDH1A1RAB9A | |
| SCHEMBL5460480 | 0.80 | FAAH (0.55) | CHRM4SLC18A3BRD4SMN1; SMN2ALDH1A1 | |
| SCHEMBL12745808 | 0.79 | GAA (0.69) | SMN1; SMN2ALDH1A1RAB9ANPC1KCNH2 | |
| SCHEMBL17787758 | 0.79 | ALDH1A1 (0.59) | SLC18A3SMN1; SMN2ALDH1A1RAB9ANPC1 |
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-2009009411-A1 | SUBSTITUTED HETEROCYCLIC ETHERS AND THEIR USE IN CNS DISORDERS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-01-15 | — | — | WO | disclosed |