Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FLT3 | P36888 | 7/20 | 0.48 |
| ▸ | IRAK4 | Q9NWZ3 | 4/20 | 0.48 |
| ▸ | KIT | P10721 | 4/20 | 0.48 |
| ▸ | AURKA | O14965 | 2/20 | 0.48 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | NTSR1 | P30989 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | CCNB2 | O95067 | 1/20 | 0.40 |
| ▸ | CDK1 | P06493 | 1/20 | 0.40 |
| ▸ | RET | P07949 | 1/20 | 0.40 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.40 |
| ▸ | CCNB3 | Q8WWL7 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL12779700 | 0.80 | FLT3 (0.73) | FLT3IRAK4KITAURKAHTT | |
| SCHEMBL12845286 | 0.75 | FLT3 (0.73) | FLT3IRAK4KITAURKAAXL | |
| SCHEMBL4046948 | 0.73 | FLT3 (0.48) | FLT3IRAK4KITAURKAKMT2A | |
| SCHEMBL12845470 | 0.70 | FLT3 (0.61) | FLT3IRAK4KITAURKAAXL | |
| SCHEMBL12845662 | 0.69 | FLT3 (0.63) | FLT3IRAK4KITAURKAKMT2A | |
| SCHEMBL12780242 | 0.68 | FLT3 (0.53) | FLT3IRAK4KITAURKAHTT | |
| SCHEMBL3950995 | 0.68 | HTT (0.56) | HTTCYP3A4CYP2C9NTSR1CYP2C19 | |
| SCHEMBL4040866 | 0.68 | FLT3 (0.67) | FLT3IRAK4KITAURKAALDH1A1 | |
| SCHEMBL4042831 | 0.67 | FLT3 (0.60) | FLT3IRAK4KITAURKAPTK2 | |
| SCHEMBL4039960 | 0.66 | FLT3 (0.67) | FLT3IRAK4KITAURKAGAA |
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-1562589-B1 | DIAMINOTRIAZOLES USEFUL AS INHIBITORS OF PROTEIN KINASES | VERTEX PHARMA (US) | 2009-01-07 | — | — | EP | disclosed |