Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | CTSC | P53634 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | CTSS | P25774 | 1/20 | 0.40 |
| ▸ | CTSK | P43235 | 1/20 | 0.40 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.39 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.39 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.39 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.39 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | FNTA | P49354 | 2/20 | 0.37 |
| ▸ | FNTB | P49356 | 2/20 | 0.37 |
| ▸ | PGGT1B | P53609 | 2/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL7372917 | 1.00 | CYP2C19 (0.54) | CYP2C19RAB9ACTSCALDH1A1CTSS | |
| SCHEMBL9444929 | 1.00 | CYP2C19 (0.54) | CYP2C19RAB9ACTSCALDH1A1CTSS | |
| SCHEMBL7376950 | 0.82 | FNTA (0.48) | CYP2C19RAB9ACTSCCTSSCTSK | |
| SCHEMBL7350157 | 0.80 | CYP2C19 (0.75) | CYP2C19RAB9ACTSCALDH1A1SLC1A3 | |
| SCHEMBL9258062 | 0.79 | SMN1; SMN2 (0.42) | CYP2C19ALDH1A1TSHR | |
| SCHEMBL9256375 | 0.79 | SMN1; SMN2 (0.42) | CYP2C19ALDH1A1TSHR | |
| SCHEMBL7282676 | 0.79 | SMN1; SMN2 (0.42) | CYP2C19ALDH1A1TSHR | |
| SCHEMBL7269232 | 0.78 | CYP1A2 (0.59) | SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL7277365 | 0.78 | CYP1A2 (0.59) | SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL7163321 | 0.78 | CYP1A2 (0.59) | SLC1A3SLC1A2SLC1A1 |
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 |