Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.43 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.43 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.43 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 5/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 3/20 | 0.39 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.39 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 3/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11806933 | 0.82 | CHRNB2 (0.47) | CHRNB2CHRNA4CHRNB4CHRNA3LMNA | |
| SCHEMBL3165458 | 0.81 | — | — | |
| SCHEMBL4698121 | 0.80 | HSD17B10 (0.50) | CHRNB2CHRNA4CHRNB4CHRNA3LMNA | |
| SCHEMBL4698323 | 0.79 | ALDH1A1 (0.41) | CHRNB2CHRNA4CHRNB4CHRNA3LMNA | |
| SCHEMBL25658286 | 0.78 | TDP1 (0.39) | TDP1 | |
| SCHEMBL14648786 | 0.78 | ALDH1A1 (0.34) | TSHRKDM4ETDP1ALDH1A1 | |
| SCHEMBL8982326 | 0.78 | CHRNB2 (0.57) | CHRNB2CHRNA4CHRNB4CHRNA3LMNA | |
| SCHEMBL15446646 | 0.77 | TDP1 (0.30) | TDP1 | |
| SCHEMBL13397697 | 0.77 | THRB (0.58) | TSHRTDP1ALDH1A1HTT | |
| SCHEMBL18419627 | 0.76 | TDP1 (0.38) | TDP1 |
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 |