Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.39 |
| ▸ | LDHA | P00338 | 1/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 6/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 6/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 5/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.32 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.32 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.32 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.32 |
| ▸ | AKR1C1 | Q04828 | 1/20 | 0.32 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.32 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL29240149 | 0.87 | HTR2A (0.41) | HTR2ALDHAOPRM1SLC6A2SLC6A3 | |
| SCHEMBL28767790 | 0.86 | HTR2A (0.40) | HTR2AOPRM1SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL27460802 | 0.81 | ALDH1A1 (0.35) | HTR2AOPRM1SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL15410302 | 0.81 | HTR2A (0.36) | HTR2AOPRM1SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL25271391 | 0.80 | TSHR (0.40) | TSHR | |
| SCHEMBL5180168 | 0.79 | LDHA (0.43) | LDHAOPRM1SLC6A2SLC6A3TSHR | |
| SCHEMBL28745569 | 0.79 | HTR2A (0.40) | HTR2AOPRM1SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL20448560 | 0.79 | — | — | |
| SCHEMBL28805981 | 0.79 | OPRM1 (0.37) | HTR2AOPRM1SLC6A2SLC6A3SLC6A4 | |
| SCHEMBL27487177 | 0.74 | AKR1C1 (0.44) | LDHATSHRAKR1C1 |
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-2362775-A1 | CHEMICAL COMPOUNDS | GlaxoSmithKline LLC (US) | 2011-09-07 | — | — | EP | disclosed |
| WO-2010059658-A1 | CHEMICAL COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2010-05-27 | — | — | WO | disclosed |