Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMYD3 | Q9H7B4 | 12/20 | 0.60 |
| ▸ | DRD2 | P14416 | 1/20 | 0.42 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL6484001 | 1.00 | SMYD3 (0.60) | SMYD3DRD2NFKB1NFKB2RELA | |
| SCHEMBL18380884 | 0.90 | SMYD3 (0.47) | SMYD3DRD2NFKB1NFKB2RELA | |
| SCHEMBL7788916 | 0.90 | SMYD3 (0.47) | SMYD3DRD2NFKB1NFKB2RELA | |
| SCHEMBL7470486 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL3971132 | 0.88 | SMYD3 (0.46) | SMYD3DRD2NFKB1NFKB2RELA | |
| SCHEMBL6483370 | 0.83 | EPHX2 (0.52) | SMYD3DRD2NFKB1NFKB2RELA | |
| SCHEMBL12513735 | 0.83 | EPHX1 (0.46) | SMYD3DRD2NFKB1NFKB2RELA | |
| SCHEMBL22722037 | 0.83 | EPHX1 (0.46) | SMYD3DRD2NFKB1NFKB2RELA | |
| SCHEMBL5949999 | 0.83 | EPHX1 (0.48) | SMYD3DRD2NFKB1NFKB2RELA | |
| SCHEMBL15906231 | 0.83 | EPHX1 (0.48) | SMYD3DRD2NFKB1NFKB2RELA |
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 |
|---|---|---|---|---|---|---|---|
| US-9169199-B2 | Cycloalkyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof | LYCERA CORPORATION (US) | 2015-10-27 | — | — | US | disclosed |
| US-9169199-B2 | Cycloalkyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof | LYCERA CORPORATION (US) | 2015-10-27 | — | — | US | disclosed |
| WO-2012078867-A2 | CYCLOALKYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF | LYCERA CORPORATION (US) | 2012-06-14 | — | — | WO | disclosed |