Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 10/20 | 0.51 |
| ▸ | ROCK2 | O75116 | 4/20 | 0.48 |
| ▸ | IMPDH2 | P12268 | 3/20 | 0.48 |
| ▸ | PRMT3 | O60678 | 1/20 | 0.47 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL2944091 | 0.84 | KDM4E (0.47) | — | |
| SCHEMBL9828031 | 0.83 | CYP3A4 (0.50) | CYP3A4ROCK2IMPDH2 | |
| SCHEMBL6958458 | 0.81 | CYP3A4 (0.49) | CYP3A4ROCK2IMPDH2 | |
| SCHEMBL31588898 | 0.80 | CACNA2D1 (0.47) | CYP3A4ROCK2IMPDH2CACNA2D1 | |
| SCHEMBL9826855 | 0.79 | CA12 (0.49) | CYP3A4 | |
| SCHEMBL19641879 | 0.79 | CYP3A4 (0.49) | CYP3A4IMPDH2 | |
| SCHEMBL14514195 | 0.78 | KMT2A (0.58) | — | |
| SCHEMBL7180001 | 0.78 | KDM4E (0.46) | — | |
| SCHEMBL8520119 | 0.77 | EGFR (0.65) | IMPDH2 | |
| SCHEMBL30050418 | 0.77 | CYP11B2 (0.60) | CYP3A4 |
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-0682017-B1 | Substituted bicycle heteroaroylguanidines, their preparation and their application in medicaments and diagnostic agents | HOECHST AG (DE) | 1999-08-11 | — | — | EP | disclosed |
| EP-0682017-A1 | Substituted bicycle heteroaroylguanidines, their preparation and their application in medicaments and diagnostic agents | HOECHST AKTIENGESELLSCHAFT (DE) | 1995-11-15 | — | — | EP | disclosed |