Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 3/20 | 0.39 |
| ▸ | GNAI3 | P08754 | 4/20 | 0.37 |
| ▸ | GNAO1 | P09471 | 4/20 | 0.37 |
| ▸ | GNAI1 | P63096 | 4/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | DRD4 | P21917 | 1/20 | 0.33 |
| ▸ | PARP1 | P09874 | 1/20 | 0.33 |
| ▸ | KDM1A | O60341 | 1/20 | 0.33 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.32 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | ACSS2 | Q9NR19 | 1/20 | 0.31 |
| ▸ | DGAT2 | Q96PD7 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL14486852 | 0.77 | EPHX1 (0.41) | KCNH2EPHX1GNAI3GNAO1GNAI1 | |
| SCHEMBL10060054 | 0.77 | EPHX1 (0.41) | KCNH2EPHX1GNAI3GNAO1GNAI1 | |
| Hydrochloric Acid SCHEMBL17560372 | 0.76 | EPHX1 (0.40) | KCNH2EPHX1GNAI3GNAO1GNAI1 | |
| Hydrochloric Acid SCHEMBL17560375 | 0.76 | EPHX1 (0.40) | KCNH2EPHX1GNAI3GNAO1GNAI1 | |
| SCHEMBL10442815 | 0.75 | KCNH2 (0.44) | KCNH2EPHX1GNAI3GNAO1GNAI1 | |
| SCHEMBL476829 | 0.74 | EPHX1 (0.36) | KCNH2EPHX1MAPK1OPRK1DRD4 | |
| SCHEMBL476802 | 0.74 | EPHX1 (0.36) | KCNH2EPHX1MAPK1OPRK1DRD4 | |
| SCHEMBL2426353 | 0.74 | KCNH2 (0.47) | KCNH2EPHX1GNAI3GNAO1GNAI1 | |
| SCHEMBL14224187 | 0.74 | KCNH2 (0.47) | KCNH2EPHX1GNAI3GNAO1GNAI1 | |
| SCHEMBL14224181 | 0.74 | KCNH2 (0.47) | KCNH2EPHX1GNAI3GNAO1GNAI1 |
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-2417140-A1 | INHIBITORS OF HIV REPLICATION | Boehringer Ingelheim International GmbH (DE) | 2012-02-15 | — | — | EP | disclosed |
| WO-2010115264-A1 | INHIBITORS OF HIV REPLICATION | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-10-14 | — | — | WO | disclosed |