Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.45 |
| ▸ | DRD2 | P14416 | 9/20 | 0.44 |
| ▸ | DRD3 | P35462 | 9/20 | 0.44 |
| ▸ | DRD1 | P21728 | 4/20 | 0.44 |
| ▸ | DRD5 | P21918 | 4/20 | 0.44 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | RELA | Q04206 | 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 | |
|---|---|---|---|---|
| SCHEMBL6906533 | 0.86 | DRD2 (0.41) | DRD2DRD3DRD1DRD5DRD4 | |
| SCHEMBL20123444 | 0.85 | DRD3 (0.46) | CYP2A6DRD2DRD3DRD1DRD5 | |
| SCHEMBL1912510 | 0.84 | — | — | |
| SCHEMBL24011796 | 0.81 | — | — | |
| Ammonia Solution, Strong SCHEMBL16830608 | 0.81 | — | — | |
| SCHEMBL30042165 | 0.81 | — | — | |
| Ammonia Solution, Strong SCHEMBL3977602 | 0.79 | DRD2 (0.52) | DRD2DRD3ADRA2AL3MBTL1SRD5A1 | |
| SCHEMBL1871985 | 0.79 | CYP2A6 (0.52) | CYP2A6DRD2DRD3ADRA2AL3MBTL1 | |
| SCHEMBL16559380 | 0.75 | DRD2 (0.52) | DRD2DRD3TSHRADRA2AHTR1A | |
| SCHEMBL4359047 | 0.74 | PNMT (0.53) | DRD2DRD3DRD4NPC1LMNA |
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-2620436-B1 | SUBSTITUTED POLYCYCLIC CARBAMOYL PYRIDONE DERIVATIVE PRODRUG | SHIONOGI & CO (JP) | 2018-05-09 | — | — | EP | disclosed |