Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | ATR | Q13535 | 5/20 | 0.47 |
| ▸ | PARP10 | Q53GL7 | 5/20 | 0.45 |
| ▸ | PARP11 | Q9NR21 | 5/20 | 0.45 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.45 |
| ▸ | GRM5 | P41594 | 6/20 | 0.43 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.41 |
| ▸ | CDK4 | P11802 | 1/20 | 0.41 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.41 |
| ▸ | CCND1 | P24385 | 1/20 | 0.41 |
| ▸ | CDK2 | P24941 | 1/20 | 0.41 |
| ▸ | CCND3 | P30281 | 1/20 | 0.41 |
| ▸ | CDK7 | P50613 | 1/20 | 0.41 |
| ▸ | CDK9 | P50750 | 1/20 | 0.41 |
| ▸ | CCNH | P51946 | 1/20 | 0.41 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.41 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.41 |
| ▸ | GSK3B | P49841 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18936996 | 0.88 | ATR (0.47) | MAPK1ATRPARP10PARP11MAPKAPK2 | |
| SCHEMBL27946388 | 0.88 | MAPK1 (0.49) | MAPK1PARP10PARP11MAPKAPK2CCNT1 | |
| SCHEMBL12495496 | 0.88 | MAPK1 (0.44) | MAPK1ATRPARP10PARP11MAPKAPK2 | |
| SCHEMBL12077344 | 0.86 | MAPK1 (0.44) | MAPK1ATRPARP10PARP11MAPKAPK2 | |
| SCHEMBL12077111 | 0.86 | MAPK1 (0.44) | MAPK1ATRPARP10PARP11MAPKAPK2 | |
| SCHEMBL12077536 | 0.85 | MAP4K4 (0.45) | MAPK1PARP10PARP11MAPKAPK2CCNT1 | |
| SCHEMBL12495198 | 0.85 | MAPK1 (0.47) | MAPK1ATRPARP10PARP11MAPKAPK2 | |
| SCHEMBL12495446 | 0.84 | MAPK1 (0.48) | MAPK1PARP10PARP11MAPKAPK2GRM5 | |
| SCHEMBL12495613 | 0.84 | MAPK1 (0.48) | MAPK1PARP10PARP11MAPKAPK2CCNT1 | |
| Cyanide SCHEMBL27928724 | 0.84 | MAPK1 (0.57) | MAPK1ATRPARP10PARP11MAPKAPK2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2681206-B1 | MST1 KINASE INHIBITORS AND METHODS OF THEIR USE | LEXICON PHARMACEUTICALS INC (US) | 2017-06-14 | — | — | EP | disclosed |
| EP-2681206-A1 | MST1 KINASE INHIBITORS AND METHODS OF THEIR USE | Lexicon Pharmaceuticals, Inc. (US) | 2014-01-08 | — | — | EP | disclosed |
| WO-2012121992-A1 | MST1 KINASE INHIBITORS AND METHODS OF THEIR USE | LEXICON PHARMACEUTICALS, INC. (US) | 2012-09-13 | — | — | WO | disclosed |