Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.56 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.56 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.52 |
| ▸ | DPP4 | P27487 | 1/20 | 0.51 |
| ▸ | HRH2 | P25021 | 1/20 | 0.50 |
| ▸ | NLN | Q9BYT8 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL27776880 | 0.99 | CYP3A4 (0.57) | EPHX1CYP3A4SLC7A5EPHX2DPP4 | |
| SCHEMBL27776886 | 0.81 | CYP3A4 (0.55) | CYP3A4SLC7A5DPP4NLN | |
| Histidine SCHEMBL5491751 | 0.78 | CYP3A4 (0.74) | CYP3A4SLC7A5EPHX2DPP4 | |
| SCHEMBL6957266 | 0.78 | CYP3A4 (0.69) | CYP3A4SLC7A5NLN | |
| SCHEMBL27946609 | 0.78 | CYP3A4 (0.69) | CYP3A4SLC7A5NLN | |
| SCHEMBL13331622 | 0.78 | CYP3A4 (0.69) | CYP3A4SLC7A5NLN | |
| SCHEMBL18162790 | 0.78 | CYP3A4 (0.69) | CYP3A4SLC7A5NLN | |
| SCHEMBL7780241 | 0.77 | CYP3A4 (0.56) | CYP3A4SLC7A5DPP4 | |
| SCHEMBL27450330 | 0.76 | CYP3A4 (0.67) | CYP3A4SLC7A5NLN | |
| SCHEMBL15259275 | 0.76 | CYP3A4 (0.58) | CYP3A4SLC7A5NLN |
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 |
|---|---|---|---|---|---|---|---|
| CN-101531637-A | A novel compound capable of restraining and blocking M2 ion channel activity and application thereof | CHINESE ACADEMY OF SCIENCES GU | 2009-09-16 | — | — | CN | claimed |
| CN-101531637-B | A novel compound capable of restraining and blocking M2 ion channel activity and application thereof | CHINESE ACADEMY OF SCIENCES GUANGZHOU INST OF BIOMEDICINE AND HEALTH | 2011-07-13 | — | — | CN | disclosed |
| CN-101531637-A | A novel compound capable of restraining and blocking M2 ion channel activity and application thereof | CHINESE ACADEMY OF SCIENCES GU | 2009-09-16 | — | — | CN | disclosed |