Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PDE5A | O76074 | 1/20 | 0.38 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.31 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA3 | P07451 | 1/20 | 0.30 |
| ▸ | CA4 | P22748 | 1/20 | 0.30 |
| ▸ | CA6 | P23280 | 1/20 | 0.30 |
| ▸ | CA5A | P35218 | 1/20 | 0.30 |
| ▸ | CA7 | P43166 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.30 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.30 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.30 |
| ▸ | OXER1 | Q8TDS5 | 2/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL8665294 | 1.00 | PDE5A (0.38) | PDE5AOPRM1CA12CA1CA2 | |
| SCHEMBL8667210 | 0.92 | — | — | |
| SCHEMBL8667207 | 0.92 | — | — | |
| SCHEMBL8663924 | 0.88 | PDE5A (0.41) | PDE5A | |
| SCHEMBL8663928 | 0.88 | PDE5A (0.41) | PDE5A | |
| SCHEMBL8663750 | 0.87 | — | — | |
| SCHEMBL8663749 | 0.87 | — | — | |
| SCHEMBL8668750 | 0.83 | SLC9A1 (0.30) | — | |
| SCHEMBL8668752 | 0.83 | SLC9A1 (0.30) | — | |
| SCHEMBL7798842 | 0.82 | SLC9A1 (0.47) | — |
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-1063438-C | Alkenyl-benzoyl guanidine derivant | MERCK PATENT GMBH (DE) | 2001-03-21 | — | — | CN | disclosed |
| US-5731351-A | Alkenyl-benzoylguanidine derivatives | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1998-03-24 | — | — | US | disclosed |
| CN-1150947-A | Alkenyl-benzoyl guanidine derivant | MERCK PATENT GMBH (DE) | 1997-06-04 | — | — | CN | disclosed |