Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.43 |
| ▸ | HTR2A | P28223 | 3/20 | 0.42 |
| ▸ | TACR1 | P25103 | 9/20 | 0.40 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 2/20 | 0.39 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.39 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.39 |
| ▸ | HTR1A | P08908 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | DRD4 | P21917 | 1/20 | 0.38 |
| ▸ | DRD5 | P21918 | 1/20 | 0.38 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.38 |
| ▸ | HTR1D | P28221 | 1/20 | 0.38 |
| ▸ | HTR1B | P28222 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | TSPO | P30536 | 1/20 | 0.38 |
| ▸ | HTR7 | P34969 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL26399598 | 0.87 | SIGMAR1 (0.48) | SIGMAR1TACR1CHRM5CHRM2CHRM1 | |
| SCHEMBL12435283 | 0.87 | SIGMAR1 (0.48) | SIGMAR1TACR1CHRM5CHRM2CHRM1 | |
| SCHEMBL5223921 | 0.87 | JAK2 (0.45) | SIGMAR1TACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5223918 | 0.87 | JAK2 (0.45) | SIGMAR1TACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL5223912 | 0.87 | JAK2 (0.45) | SIGMAR1TACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL4405607 | 0.78 | SMN1; SMN2 (0.50) | TACR1NPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL5259400 | 0.78 | SMN1; SMN2 (0.50) | TACR1NPC1RAB9ASMN1; SMN2CYP3A4 | |
| SCHEMBL5221088 | 0.77 | TACR1 (0.48) | TACR1CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL26402882 | 0.74 | PROKR1 (0.45) | — | |
| SCHEMBL13949034 | 0.72 | TACR1 (0.63) | TACR1CYP3A4CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| US-RE48334-E1 | Nitrogen-containing heterocyclic compound and use of same | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2020-12-01 | — | — | US | disclosed |