Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | CPA1 | P15085 | 7/20 | 0.54 |
| ▸ | CPA3 | P15088 | 3/20 | 0.54 |
| ▸ | FOLH1 | Q04609 | 2/20 | 0.54 |
| ▸ | CPB1 | P15086 | 1/20 | 0.54 |
| ▸ | CPB2 | Q96IY4 | 1/20 | 0.54 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.50 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.50 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.50 |
| ▸ | MME | P08473 | 1/20 | 0.47 |
| ▸ | NAALAD2 | Q9Y3Q0 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL7272157 | 1.00 | CYP1A2 (0.61) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL8534932 | 0.86 | CYP1A2 (0.43) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL7270622 | 0.84 | CYP1A2 (0.46) | CYP1A2FOLH1 | |
| SCHEMBL397348 | 0.84 | CYP1A2 (0.42) | CYP1A2FOLH1MME | |
| SCHEMBL397349 | 0.84 | CYP1A2 (0.42) | CYP1A2FOLH1MME | |
| SCHEMBL9556401 | 0.83 | LDHA (0.58) | — | |
| SCHEMBL9556399 | 0.83 | LDHA (0.58) | — | |
| SCHEMBL7334986 | 0.83 | PPARG (0.50) | CYP1A2 | |
| SCHEMBL162841 | 0.82 | CYP1A2 (0.70) | CYP1A2CPA1CPA3FOLH1CPB1 | |
| SCHEMBL7281124 | 0.81 | CPA1 (0.59) | CYP1A2CPA1CPA3FOLH1CPB1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0416393-A1 | Peptidyl difluorodiol renin inhibitors | ABBOTT LABORATORIES (US) | 1991-03-13 | — | — | EP | disclosed |
| EP-0341602-A2 | Renin-inhibiting functionalized peptidyl aminodiols and - triols | ABBOTT LABORATORIES (US) | 1989-11-15 | — | — | EP | disclosed |
| EP-0307837-A2 | Renin-inhibiting peptidyl heterocycles | ABBOTT LABORATORIES (US) | 1989-03-22 | — | — | EP | disclosed |