Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNNI3K | Q59H18 | 8/20 | 0.42 |
| ▸ | BACE1 | P56817 | 3/20 | 0.42 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.42 |
| ▸ | CDK1 | P06493 | 1/20 | 0.42 |
| ▸ | CCNB1 | P14635 | 1/20 | 0.42 |
| ▸ | CDK9 | P50750 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.41 |
| ▸ | EGFR | P00533 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | FLT3 | P36888 | 2/20 | 0.39 |
| ▸ | KIT | P10721 | 1/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.38 |
| ▸ | JAK1 | P23458 | 1/20 | 0.38 |
| ▸ | TYK2 | P29597 | 1/20 | 0.38 |
| ▸ | JAK3 | P52333 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL12781111 | 0.91 | CCNT1 (0.51) | BACE1CCNT1CDK1CCNB1CDK9 | |
| SCHEMBL12781006 | 0.79 | BACE1 (0.52) | BACE1CCNT1CDK1CCNB1CDK9 | |
| SCHEMBL12781061 | 0.77 | JAK2 (0.48) | BACE1CCNT1CDK1CCNB1CDK9 | |
| SCHEMBL12781069 | 0.77 | BACE1 (0.49) | TNNI3KBACE1EGFRKMT2AFLT3 | |
| SCHEMBL12781086 | 0.76 | CCNT1 (0.45) | CCNT1CDK1CCNB1CDK9CYP1A2 | |
| SCHEMBL12781005 | 0.70 | BACE1 (0.59) | TNNI3KBACE1CCNT1CDK1CCNB1 | |
| SCHEMBL12781039 | 0.69 | BACE1 (0.46) | BACE1CCNT1CDK1CCNB1CDK9 | |
| SCHEMBL12781080 | 0.66 | SRC (0.49) | BACE1CDK1CCNB1HTTKMT2A | |
| SCHEMBL12780900 | 0.66 | FLT3 (0.62) | BACE1CYP1A2CYP2D6HTTKMT2A | |
| SCHEMBL12781074 | 0.66 | BACE1 (0.55) | BACE1CDK1CCNB1GLAHTT |
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 |