Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB4 | P30926 | 1/20 | 0.52 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.52 |
| ▸ | TACR1 | P25103 | 4/20 | 0.52 |
| ▸ | HTR2A | P28223 | 1/20 | 0.47 |
| ▸ | HTR2C | P28335 | 1/20 | 0.47 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | MEN1 | O00255 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.47 |
| ▸ | CHRM2 | P08172 | 7/20 | 0.47 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.47 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.47 |
| ▸ | BCHE | P06276 | 3/20 | 0.47 |
| ▸ | ACHE | P22303 | 3/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | TP53 | P04637 | 1/20 | 0.47 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL18019869 | 0.82 | CHRNB4 (0.58) | CHRNB4CHRNA3TACR1CYP2D6 | |
| SCHEMBL18019873 | 0.82 | CHRNB4 (0.58) | CHRNB4CHRNA3TACR1CYP2D6 | |
| SCHEMBL17979768 | 0.82 | CHRNB4 (0.58) | CHRNB4CHRNA3TACR1CYP2D6 | |
| SCHEMBL11471256 | 0.81 | CHRNB4 (0.57) | CHRNB4CHRNA3TACR1CYP2D6 | |
| SCHEMBL22444215 | 0.80 | TSHR (0.50) | HTR2AMEN1KMT2AKDM4ETP53 | |
| SCHEMBL18019797 | 0.77 | CHRNB4 (0.64) | CHRNB4CHRNA3TACR1 | |
| SCHEMBL13877462 | 0.77 | CHRNB4 (0.64) | CHRNB4CHRNA3TACR1 | |
| SCHEMBL18019795 | 0.77 | CHRNB4 (0.64) | CHRNB4CHRNA3TACR1 | |
| SCHEMBL416347 | 0.77 | CXCR4 (0.65) | HTR2AHTR2CHTR2BMEN1KMT2A | |
| Hydrochloric Acid SCHEMBL3636932 | 0.76 | CHRNB4 (0.62) | CHRNB4CHRNA3TACR1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3342772-A1 | HETEROCYCLIC COMPOUND | Takeda Pharmaceutical Company Limited (JP) | 2018-07-04 | — | — | EP | disclosed |