Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB11 | O95342 | 1/20 | 0.37 |
| ▸ | EGFR | P00533 | 1/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.37 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.37 |
| ▸ | TBXAS1 | P24557 | 1/20 | 0.37 |
| ▸ | HTR2C | P28335 | 1/20 | 0.37 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.37 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | HTR2B | P41595 | 1/20 | 0.37 |
| ▸ | AGTR2 | P50052 | 1/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.37 |
| ▸ | LTB4R2 | Q9NPC1 | 1/20 | 0.37 |
| ▸ | BRS3 | P32247 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL844427 | 0.88 | ABCB11 (0.38) | ABCB11EGFRERBB2CYP3A4ADORA3 | |
| SCHEMBL9638155 | 0.87 | DHODH (0.43) | — | |
| SCHEMBL7972086 | 0.83 | CMKLR1 (0.35) | — | |
| SCHEMBL9291479 | 0.80 | PARP1 (0.35) | ABCB11EGFRERBB2CYP3A4ADORA3 | |
| SCHEMBL8836872 | 0.80 | BRS3 (0.33) | ABCB11EGFRERBB2CYP3A4ADORA3 | |
| SCHEMBL9638146 | 0.77 | ABCB11 (0.37) | ABCB11EGFRERBB2CYP3A4ADORA3 | |
| SCHEMBL7221466 | 0.76 | BRS3 (0.41) | EGFRBRS3 | |
| SCHEMBL789857 | 0.73 | ABCB11 (0.36) | ABCB11EGFRERBB2CYP3A4ADORA3 | |
| SCHEMBL3400645 | 0.72 | PPARG (0.51) | CYP3A4ADORA3ADRA2BSLC6A2AGTR1 | |
| SCHEMBL4373827 | 0.71 | ABCB11 (0.55) | ABCB11EGFRERBB2CYP3A4ADORA3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5128356-A | Angiotensin antagonist; cardiovascular disorders | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1992-07-07 | — | — | US | disclosed |