Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.69 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.69 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.69 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.69 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.69 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.69 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.69 |
| ▸ | RARG | P13631 | 1/20 | 0.69 |
| ▸ | CNR1 | P21554 | 1/20 | 0.69 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.69 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.69 |
| ▸ | PPARA | Q07869 | 1/20 | 0.69 |
| ▸ | NR1H3 | Q13133 | 1/20 | 0.69 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.51 |
| ▸ | MME | P08473 | 2/20 | 0.46 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL7141032 | 0.88 | CYP1A2 (0.58) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4177084 | 0.87 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4804596 | 0.86 | CYP1A2 (0.56) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL7277529 | 0.84 | CYP1A2 (0.52) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL4611137 | 0.83 | CYP1A2 (0.59) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL6154521 | 0.83 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL838962 | 0.83 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| SCHEMBL838961 | 0.83 | CYP1A2 (0.63) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Ecadotril SCHEMBL48974 | 0.82 | CYP1A2 (1.00) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 | |
| Dexecadotril SCHEMBL1649041 | 0.82 | CYP1A2 (1.00) | CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19 |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5712417-A | Inhibitors of retroviral proteases | ABBOTT LABORATORIES (US) | 1998-01-27 | — | — | US | disclosed |
| EP-0456185-B1 | Renin inhibitors | ABBOTT LAB (US) | 1995-05-31 | — | — | EP | disclosed |
| US-5332742-A | Ocular hypotensive | ABBOTT LABORATORIES (US) | 1994-07-26 | — | — | US | disclosed |
| US-5310740-A | Congestive heart failure, hypotensive agents, antiglaucoma agents; side effect reduction | ABBOTT LABORATORIES (US) | 1994-05-10 | — | — | US | disclosed |
| US-5284849-A | Treating hypertension and congestive heart failure | ABBOTT LABORATORIES (US) | 1994-02-08 | — | — | US | disclosed |
| US-5258362-A | Enzyme inhibitors, amides with oxetane ring | ABBOTT LABORATORIES (US) | 1993-11-02 | — | — | US | disclosed |
| EP-0456185-A2 | Renin inhibitors | ABBOTT LABORATORIES (US) | 1991-11-13 | — | — | EP | disclosed |
| US-5063208-A | Cardiovascular disorders, vision defects | ABBOTT LABORATORIES (US) | 1991-11-05 | — | — | US | disclosed |
| EP-0410260-A2 | Peptidyl aminodiol renin inhibitors | ABBOTT LABORATORIES (US) | 1991-01-30 | — | — | EP | disclosed |
| WO-1989010751-A1 | FUNCTIONALIZED PEPTIDYL AMINODIOLS AND -TRIOLS | ABBOTT LABORATORIES (US) | 1989-11-16 | — | — | WO | disclosed |
| EP-0341602-A2 | Renin-inhibiting functionalized peptidyl aminodiols and - triols | ABBOTT LABORATORIES (US) | 1989-11-15 | — | — | EP | disclosed |