Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK3 | P27361 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | EGFR | P00533 | 3/20 | 0.31 |
| ▸ | CCNA2 | P20248 | 3/20 | 0.31 |
| ▸ | CDK2 | P24941 | 3/20 | 0.31 |
| ▸ | BTK | Q06187 | 3/20 | 0.31 |
| ▸ | CDK1 | P06493 | 3/20 | 0.31 |
| ▸ | CCNT1 | O60563 | 2/20 | 0.31 |
| ▸ | CCNB1 | P14635 | 2/20 | 0.31 |
| ▸ | CDK7 | P50613 | 2/20 | 0.31 |
| ▸ | CDK9 | P50750 | 2/20 | 0.31 |
| ▸ | CCNH | P51946 | 2/20 | 0.31 |
| ▸ | CCNA1 | P78396 | 2/20 | 0.31 |
| ▸ | JAK2 | O60674 | 1/20 | 0.31 |
| ▸ | KDR | P35968 | 1/20 | 0.31 |
| ▸ | CCND1 | P24385 | 4/20 | 0.31 |
| ▸ | CDK4 | P11802 | 2/20 | 0.31 |
| ▸ | ITK | Q08881 | 1/20 | 0.31 |
| ▸ | CDK6 | Q00534 | 2/20 | 0.31 |
| ▸ | WNT1 | P04628 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL21075878 | 0.93 | MAPK3 (0.48) | MAPK3MAPK1CCNA2CDK2CDK1 | |
| SCHEMBL21075972 | 0.91 | MAPK1 (0.46) | MAPK3MAPK1CDK1JAK2KDR | |
| SCHEMBL21075975 | 0.91 | MAPK1 (0.47) | MAPK3MAPK1EGFRCCNA2CDK2 | |
| SCHEMBL21075927 | 0.85 | MAPK1 (0.66) | MAPK3MAPK1EGFRCDK1CCNB1 | |
| SCHEMBL21075880 | 0.83 | MAPK3 (0.62) | MAPK3MAPK1EGFRCDK1CCNB1 | |
| SCHEMBL21075891 | 0.80 | MAPK3 (0.56) | MAPK3MAPK1CDK1CCNB1 | |
| SCHEMBL17837173 | 0.79 | MAPK1 (0.52) | MAPK3MAPK1EGFRCCNA2CDK2 | |
| SCHEMBL17837176 | 0.79 | MAPK1 (0.75) | MAPK3MAPK1CDK2CCND1CDK4 | |
| SCHEMBL21075977 | 0.79 | MAPK3 (0.55) | MAPK3MAPK1 | |
| SCHEMBL21075872 | 0.78 | MAPK3 (0.56) | MAPK3MAPK1CDK1CCNB1 |
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-3237423-B1 | THIENO[2,3-C]PYRROL-4-ONE DERIVATIVES AS ERK INHIBITORS | LILLY CO ELI (US) | 2019-06-05 | — | — | EP | disclosed |