Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MME | P08473 | 7/20 | 0.48 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.39 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.39 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 7/20 | 0.36 |
| ▸ | OPRD1 | P41143 | 4/20 | 0.36 |
| ▸ | OPRK1 | P41145 | 4/20 | 0.36 |
| ▸ | OPRL1 | P41146 | 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 | |
|---|---|---|---|---|
| SCHEMBL8910477 | 1.00 | MME (0.48) | MMECTSSCTSKSLC1A3SLC1A2 | |
| SCHEMBL7277365 | 0.81 | CYP1A2 (0.59) | MMESLC1A3SLC1A2SLC1A1CYP1A2 | |
| SCHEMBL7163321 | 0.81 | CYP1A2 (0.59) | MMESLC1A3SLC1A2SLC1A1CYP1A2 | |
| SCHEMBL7269232 | 0.81 | CYP1A2 (0.59) | MMESLC1A3SLC1A2SLC1A1CYP1A2 | |
| SCHEMBL8531043 | 0.77 | CYP1A2 (0.42) | MMECYP1A2 | |
| SCHEMBL8531656 | 0.75 | CYP1A2 (0.40) | MMESLC1A3SLC1A2SLC1A1CYP1A2 | |
| SCHEMBL9444964 | 0.75 | LDHA (0.56) | — | |
| SCHEMBL9219971 | 0.75 | LDHA (0.56) | — | |
| SCHEMBL9444929 | 0.75 | CYP2C19 (0.54) | CTSSCTSKSLC1A3SLC1A2SLC1A1 | |
| SCHEMBL8910216 | 0.75 | CYP2C19 (0.54) | CTSSCTSKSLC1A3SLC1A2SLC1A1 |
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-5688946-A | DIPEPTIDES FOR HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS | HOFFMANN LA ROCHE INC. (US) | 1997-11-18 | — | — | US | disclosed |