Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MBOAT4 | Q96T53 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KHK | P50053 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | RPS6KA5 | O75582 | 1/20 | 0.37 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.37 |
| ▸ | TRPV4 | Q9HBA0 | 1/20 | 0.35 |
| ▸ | IDH1 | O75874 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | CSNK1A1 | P48729 | 1/20 | 0.33 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | LRRK2 | Q5S007 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30164142 | 0.83 | MBOAT4 (0.45) | MBOAT4ALDH1A1KHKNPSR1CYP1A2 | |
| SCHEMBL2394294 | 0.83 | MBOAT4 (0.45) | MBOAT4ALDH1A1KHKNPSR1CYP1A2 | |
| SCHEMBL30640933 | 0.82 | CCR1 (0.43) | MBOAT4ALDH1A1KHKNPSR1CYP1A2 | |
| SCHEMBL3526430 | 0.82 | CCR1 (0.43) | MBOAT4ALDH1A1KHKNPSR1CYP1A2 | |
| SCHEMBL17316420 | 0.82 | CCR1 (0.43) | MBOAT4ALDH1A1KHKNPSR1CYP1A2 | |
| SCHEMBL16213203 | 0.80 | MBOAT4 (0.37) | MBOAT4ALDH1A1NPSR1CYP1A2CYP2C9 | |
| SCHEMBL6184247 | 0.79 | MBOAT4 (0.45) | MBOAT4ALDH1A1NPSR1CYP1A2CYP2C9 | |
| SCHEMBL9262850 | 0.77 | TSHR (0.56) | MBOAT4ALDH1A1KHKNPSR1CYP1A2 | |
| SCHEMBL30376853 | 0.76 | ALDH1A1 (0.43) | MBOAT4ALDH1A1KHKNPSR1CYP1A2 | |
| SCHEMBL565602 | 0.76 | ALDH1A1 (0.43) | MBOAT4ALDH1A1KHKNPSR1CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| US-6376499-B1 | PIPERAZINE-AMIDE COMPOUND WITH ANTICOAGULANT ACTIVITY | MERCK & CO., INC. | 2002-04-23 | — | — | US | disclosed |
| EP-1124823-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2001-08-22 | — | — | EP | disclosed |
| WO-2000026210-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2000-05-11 | — | — | WO | disclosed |