Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 3/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.66 |
| ▸ | MAPT | P10636 | 2/20 | 0.64 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.59 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | TSHR | P16473 | 2/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | USP2 | O75604 | 1/20 | 0.56 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.56 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.56 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.56 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.56 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.56 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.56 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.56 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.56 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.56 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.56 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL12608238 | 0.88 | CYP2C19 (0.72) | CYP2C19CYP1A2MAPTKDM4EGAA | |
| SCHEMBL12456328 | 0.88 | CYP2C19 (0.72) | CYP2C19CYP1A2MAPTKDM4EGAA | |
| SCHEMBL29728210 | 0.86 | MAPT (0.68) | CYP2C19CYP1A2MAPTKDM4EGAA | |
| SCHEMBL4867099 | 0.86 | MAPT (0.68) | CYP2C19CYP1A2MAPTKDM4EGAA | |
| SCHEMBL9523938 | 0.85 | CYP1A2 (0.68) | CYP2C19CYP1A2MAPTKDM4EGAA | |
| SCHEMBL1952761 | 0.85 | CYP1A2 (0.68) | CYP2C19CYP1A2MAPTKDM4EGAA | |
| SCHEMBL890383 | 0.83 | CYP1A2 (0.70) | CYP2C19CYP1A2MAPTKDM4EGAA | |
| SCHEMBL15684124 | 0.82 | CYP1A2 (0.68) | CYP2C19CYP1A2MAPTKDM4EGAA | |
| SCHEMBL30668502 | 0.82 | CYP1A2 (0.68) | CYP2C19CYP1A2MAPTKDM4EGAA | |
| SCHEMBL10061482 | 0.82 | CYP1A2 (0.68) | CYP2C19CYP1A2MAPTKDM4EGAA |
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-0443862-A1 | Triamine derivatives and their acid-addition salts | SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) | 1991-08-28 | — | — | EP | disclosed |