Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.44 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | DGAT1 | O75907 | 1/20 | 0.34 |
| ▸ | TTK | P33981 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8056505 | 1.00 | CYP2C9 (0.44) | CYP2C9HRH3CYP2D6LMNAMAPT | |
| SCHEMBL6458660 | 0.90 | HRH3 (0.40) | CYP2C9HRH3CYP2D6LMNAMAPT | |
| SCHEMBL6458670 | 0.90 | HRH3 (0.40) | CYP2C9HRH3CYP2D6LMNAMAPT | |
| SCHEMBL6453780 | 0.83 | HRH3 (0.39) | CYP2C9HRH3CYP2D6LMNAMAPT | |
| SCHEMBL6453775 | 0.83 | HRH3 (0.39) | CYP2C9HRH3CYP2D6LMNAMAPT | |
| SCHEMBL6455489 | 0.82 | HRH3 (0.38) | HRH3CYP2D6LMNAMAPTKDM4E | |
| SCHEMBL6455494 | 0.82 | HRH3 (0.38) | HRH3CYP2D6LMNAMAPTKDM4E | |
| SCHEMBL6456106 | 0.82 | HRH3 (0.41) | HRH3CYP2D6LMNAMAPTALDH1A1 | |
| SCHEMBL6456111 | 0.82 | HRH3 (0.41) | HRH3CYP2D6LMNAMAPTALDH1A1 | |
| SCHEMBL6453624 | 0.81 | HRH3 (0.38) | HRH3CYP2D6LMNAMAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| JP-2000001463-A | PRODUCTION OF 4-CYNOBENZENE DERIVATIVE | DAINIPPON INK & CHEM INC | 2000-01-07 | — | — | JP | disclosed |