Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 8/20 | 0.52 |
| ▸ | NPC1 | O15118 | 4/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.52 |
| ▸ | RAB9A | P51151 | 3/20 | 0.52 |
| ▸ | MAPT | P10636 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.52 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | MMP2 | P08253 | 3/20 | 0.44 |
| ▸ | CA12 | O43570 | 2/20 | 0.44 |
| ▸ | CA1 | P00915 | 2/20 | 0.44 |
| ▸ | CA2 | P00918 | 2/20 | 0.44 |
| ▸ | CA9 | Q16790 | 2/20 | 0.44 |
| ▸ | MMP8 | P22894 | 1/20 | 0.44 |
| ▸ | MMP1 | P03956 | 1/20 | 0.44 |
| ▸ | MMP3 | P08254 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL20748435 | 1.00 | EPHX1 (0.52) | EPHX1NPC1SMN1; SMN2RAB9AMAPT | |
| SCHEMBL21984724 | 0.98 | EPHX1 (0.48) | EPHX1NPC1SMN1; SMN2RAB9AMAPT | |
| SCHEMBL14748226 | 0.94 | EPHX1 (0.54) | EPHX1NPC1SMN1; SMN2RAB9AMAPT | |
| SCHEMBL30673977 | 0.81 | EPHX1 (0.54) | EPHX1NPC1SMN1; SMN2RAB9AMAPT | |
| SCHEMBL11857733 | 0.75 | EPHX1 (0.46) | EPHX1NPC1SMN1; SMN2RAB9AMAPT | |
| SCHEMBL20194660 | 0.75 | HPGD (0.55) | EPHX1NPC1SMN1; SMN2RAB9AMAPT | |
| SCHEMBL24312848 | 0.73 | EPHX1 (0.57) | EPHX1EPHX2 | |
| SCHEMBL15906230 | 0.73 | EPHX1 (0.50) | EPHX1NPC1SMN1; SMN2RAB9AKDM4E | |
| SCHEMBL3400643 | 0.73 | SMYD3 (0.40) | — | |
| SCHEMBL28524385 | 0.73 | EPHX1 (0.50) | EPHX1NPC1SMN1; SMN2RAB9AMAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3444254-B1 | HETEROCYCLIC-SUBSTITUTED PYRIDINOPYRIMIDINONE DERIVATIVE AS CDK INHIBITOR AND USE THEREOF | SHANGHAI XUNHE PHARMACEUTICAL TECH CO LTD (CN) | 2020-05-13 | — | — | EP | disclosed |
| EP-3444254-A1 | HETEROCYCLIC-SUBSTITUTED PYRIDINOPYRIMIDINONE DERIVATIVE AS CDK INHIBITOR AND USE THEREOF | Shanghai Xunhe Pharmaceutical Technology Co., Ltd. (CN) | 2019-02-20 | — | — | EP | disclosed |