Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MME | P08473 | 2/20 | 0.54 |
| ▸ | ECE1 | P42892 | 1/20 | 0.54 |
| ▸ | ACE | P12821 | 1/20 | 0.54 |
| ▸ | CPA1 | P15085 | 1/20 | 0.54 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.54 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.52 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.52 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.52 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.52 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.52 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.52 |
| ▸ | RARG | P13631 | 1/20 | 0.52 |
| ▸ | CNR1 | P21554 | 1/20 | 0.52 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.52 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.52 |
| ▸ | PPARA | Q07869 | 1/20 | 0.52 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL6199752 | 0.88 | CYP1A2 (0.58) | MMECYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6199749 | 0.88 | CYP1A2 (0.58) | MMECYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7438012 | 0.86 | LTA4H (0.69) | MMELTA4H | |
| SCHEMBL11389773 | 0.86 | LTA4H (0.69) | MMELTA4H | |
| SCHEMBL7319270 | 0.84 | MME (0.67) | MMECYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL28561424 | 0.84 | MME (0.60) | MMEACECPA1ACE2CYP1A2 | |
| SCHEMBL7329266 | 0.84 | FNTA (0.52) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL11124818 | 0.83 | MME (0.70) | MMECYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7324192 | 0.83 | MME (0.70) | MMECYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL6169549 | 0.83 | MME (0.60) | MMEACECPA1ACE2 |
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-5496805-A | DIURETIC, HYPOTENSIVE | E. R. SQUIBB & SONS, INC. (US) | 1996-03-05 | — | — | US | disclosed |