Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | NAMPT | P43490 | 1/20 | 0.47 |
| ▸ | IKBKB | O14920 | 1/20 | 0.45 |
| ▸ | HRH4 | Q9H3N8 | 6/20 | 0.42 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.41 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.41 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | HRH2 | P25021 | 2/20 | 0.39 |
| ▸ | HRH3 | Q9Y5N1 | 2/20 | 0.37 |
| ▸ | RECQL | P46063 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KCNA3 | P22001 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL504830 | 1.00 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19NAMPT | |
| SCHEMBL504467 | 1.00 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19NAMPT | |
| SCHEMBL504220 | 1.00 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19NAMPT | |
| SCHEMBL8051025 | 1.00 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19NAMPT | |
| SCHEMBL8054318 | 1.00 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19NAMPT | |
| SCHEMBL504459 | 1.00 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19NAMPT | |
| SCHEMBL504267 | 1.00 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19NAMPT | |
| SCHEMBL504458 | 1.00 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19NAMPT | |
| SCHEMBL8054097 | 1.00 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19NAMPT | |
| SCHEMBL504931 | 1.00 | CYP3A4 (0.47) | CYP3A4CYP2D6CYP2C9CYP2C19NAMPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120029036-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING PYRIDYL CYANOGUANIDINE, PROCESS FOR PREPARING THE SAME AND USE THEREOF | TIANJIN MICHELE SCI-TECH DEVELOPMENT CO., LTD. (CN) | 2012-02-02 | — | — | US | claimed |
| EP-2394649-A1 | PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDYL CYANOGUANIDINES, PREPARATION METHODS AND USES THEREOF | Tianjin Hemay Bio-Tech Co., Ltd. (CN) | 2011-12-14 | — | — | EP | claimed |
| US-20120029036-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING PYRIDYL CYANOGUANIDINE, PROCESS FOR PREPARING THE SAME AND USE THEREOF | TIANJIN MICHELE SCI-TECH DEVELOPMENT CO., LTD. (CN) | 2012-02-02 | — | — | US | disclosed |
| EP-2394649-A1 | PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDYL CYANOGUANIDINES, PREPARATION METHODS AND USES THEREOF | Tianjin Hemay Bio-Tech Co., Ltd. (CN) | 2011-12-14 | — | — | EP | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20120029036-A1 | PHARMACEUTICAL COMPOSITIONS COMPRISING PYRIDYL CYANOGUANIDINE, PROCESS FOR PREPARING THE SAME AND USE THEREOF | PLPBP, PYGL, QDPR | CYP3A4 117/4885CYP2D6 101/4885CYP2C9 5/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.