Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.38 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.38 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.38 |
| ▸ | CHRM4 | P08173 | 2/20 | 0.38 |
| ▸ | CHRM5 | P08912 | 2/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.38 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.38 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.38 |
| ▸ | AKT1 | P31749 | 3/20 | 0.36 |
| ▸ | AKT2 | P31751 | 3/20 | 0.36 |
| ▸ | AKT3 | Q9Y243 | 3/20 | 0.36 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.36 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28565968 | 0.84 | ALOX15 (0.41) | CHRNB2CHRNA4CHRM2CHRM4CHRM5 | |
| SCHEMBL4700322 | 0.79 | CHRNB2 (0.43) | ALDH1A1CHRNB2CHRNA4CHRM2CHRM4 | |
| SCHEMBL20784046 | 0.78 | ALOX15 (0.46) | CHRNB2CHRNA4CHRM2CHRM4CHRM5 | |
| SCHEMBL10821810 | 0.77 | LPAR1 (0.43) | ALDH1A1AKT1AKT2AKT3PIK3R1 | |
| SCHEMBL11806933 | 0.76 | CHRNB2 (0.47) | ALDH1A1CHRNB2CHRNA4CHRM2CHRM4 | |
| SCHEMBL29221545 | 0.76 | TSHR (0.46) | ALDH1A1CHRNB2CHRNA4CHRM2CHRM4 | |
| SCHEMBL30678661 | 0.76 | TSHR (0.46) | ALDH1A1CHRNB2CHRNA4CHRM2CHRM4 | |
| SCHEMBL631206 | 0.76 | TSHR (0.46) | ALDH1A1CHRNB2CHRNA4CHRM2CHRM4 | |
| SCHEMBL5531906 | 0.76 | TSHR (0.46) | ALDH1A1CHRNB2CHRNA4CHRM2CHRM4 | |
| SCHEMBL4698121 | 0.75 | HSD17B10 (0.50) | ALDH1A1CHRNB2CHRNA4CHRM2CHRM4 |
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-1987037-A2 | FUSED HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2008-11-05 | — | — | EP | disclosed |
| WO-2007097470-A2 | FUSED NITROGEN- COMPRISING HETEROCYCLIC COMPOUND | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-08-30 | — | — | WO | disclosed |