Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.41 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CDC7 | O00311 | 1/20 | 0.40 |
| ▸ | ROCK2 | O75116 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.40 |
| ▸ | PRKACA | P17612 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | CDK7 | P50613 | 1/20 | 0.40 |
| ▸ | CDK9 | P50750 | 1/20 | 0.40 |
| ▸ | HIPK2 | Q9H2X6 | 1/20 | 0.40 |
| ▸ | IRAK4 | Q9NWZ3 | 1/20 | 0.40 |
| ▸ | KCNH3 | Q9ULD8 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | HTT | P42858 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4819595 | 0.90 | CDC7 (0.47) | ESR1CYP2D6CYP2C19CDC7ROCK2 | |
| SCHEMBL2578650 | 0.80 | KMT2A (0.47) | ESR1CYP2D6CYP2C19SMN1; SMN2HTT | |
| SCHEMBL11794066 | 0.79 | MEN1 (0.54) | DYRK1ACYP2D6CYP2C19CDC7ROCK2 | |
| SCHEMBL10681015 | 0.78 | KCNH3 (0.53) | KCNH3SMN1; SMN2HTTHSD17B10NPSR1 | |
| SCHEMBL14656478 | 0.78 | CYP2D6 (0.44) | ESR1DYRK1ACYP2D6CYP2C19CDC7 | |
| SCHEMBL15719830 | 0.78 | ESR1 (0.47) | ESR1CYP2D6CYP2C19SMN1; SMN2HRH4 | |
| SCHEMBL32678680 | 0.76 | HSD17B10 (0.50) | DYRK1ACYP2D6CYP2C19KCNH3SMN1; SMN2 | |
| SCHEMBL32678687 | 0.76 | HSD17B10 (0.50) | DYRK1ACYP2D6CYP2C19KCNH3SMN1; SMN2 | |
| SCHEMBL10102076 | 0.76 | LMNA (0.46) | DYRK1APIM1KCNH3SMN1; SMN2HTT | |
| SCHEMBL11792390 | 0.76 | MEN1 (0.46) | ESR1DYRK1ACDC7ROCK2PIM1 |
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-0254183-A2 | 2,4-Diaminopyrimidines | BAYER AG (DE) | 1988-01-27 | — | — | EP | disclosed |