Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.59 |
| ▸ | MAPK14 | Q16539 | 6/20 | 0.47 |
| ▸ | CREBBP | Q92793 | 1/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.43 |
| ▸ | IDO1 | P14902 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | MAPK7 | Q13164 | 2/20 | 0.41 |
| ▸ | VIP | P01282 | 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 | |
|---|---|---|---|---|
| SCHEMBL21587938 | 0.80 | PKM (0.49) | PKMMAPK14CREBBPDAOIDO1 | |
| SCHEMBL29728312 | 0.78 | PKM (0.67) | PKMMAPK14CREBBPDAOIDO1 | |
| SCHEMBL28928854 | 0.73 | PKM (0.52) | PKMMAPK14CREBBPDAOLMNA | |
| SCHEMBL29191011 | 0.72 | MAPK14 (0.58) | MAPK14HTTMAPK7 | |
| SCHEMBL24650697 | 0.72 | AURKA (0.49) | — | |
| SCHEMBL28928834 | 0.71 | PKM (0.50) | PKMCREBBPDAOLMNAHTT | |
| SCHEMBL21587727 | 0.70 | MAPK1 (0.61) | — | |
| SCHEMBL28928857 | 0.69 | DAO (0.48) | PKMMAPK14CREBBPDAOIDO1 | |
| SCHEMBL5968915 | 0.68 | P2RX7 (0.39) | LMNAHTT | |
| SCHEMBL23952430 | 0.66 | CREBBP (0.67) | PKMCREBBPDAOIDO1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2019233457-A1 | ERK INHIBITOR AND USE THEREOF | 贝达药业股份有限公司 (CN) | 2019-12-12 | — | — | WO | disclosed |
| WO-2019233456-A1 | ERK INHIBITOR AND USE THEREOF | 贝达药业股份有限公司 (CN) | 2019-12-12 | — | — | WO | disclosed |