Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.43 |
| ▸ | PSEN1 | P49768 | 6/20 | 0.43 |
| ▸ | PSEN2 | P49810 | 6/20 | 0.43 |
| ▸ | APH1B | Q8WW43 | 6/20 | 0.43 |
| ▸ | NCSTN | Q92542 | 6/20 | 0.43 |
| ▸ | APH1A | Q96BI3 | 6/20 | 0.43 |
| ▸ | PSENEN | Q9NZ42 | 6/20 | 0.43 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.39 |
| ▸ | PDE4A | P27815 | 1/20 | 0.38 |
| ▸ | PDE4B | Q07343 | 1/20 | 0.38 |
| ▸ | PDE4C | Q08493 | 1/20 | 0.38 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL10739759 | 0.77 | PDE3B (0.67) | CYP3A4PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL9825522 | 0.76 | PDE3B (0.60) | CYP3A4PDE3BPDE3APDE4APDE4B | |
| SCHEMBL2813793 | 0.76 | PSEN1 (0.53) | CYP3A4PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL7266092 | 0.74 | PDE3B (0.43) | CYP3A4PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL6972986 | 0.71 | METAP1 (0.54) | CYP19A1MAOAMAOB | |
| Toluene SCHEMBL7273861 | 0.70 | PSEN1 (0.48) | CYP3A4PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL27985278 | 0.68 | CYP1A2 (0.65) | CYP3A4PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL9699737 | 0.67 | PSEN1 (0.44) | CYP3A4PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL9700832 | 0.67 | PSEN1 (0.46) | CYP3A4PSEN1PSEN2APH1BNCSTN | |
| SCHEMBL8555030 | 0.66 | METAP1 (0.54) | — |
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-0314400-A1 | Therapeutically active condensed thiadiazinones | SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) | 1989-05-03 | — | — | EP | claimed |