Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 4/20 | 1.00 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.74 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.74 |
| ▸ | MAPT | P10636 | 3/20 | 0.71 |
| ▸ | MEN1 | O00255 | 2/20 | 0.71 |
| ▸ | GAA | P10253 | 2/20 | 0.71 |
| ▸ | BLM | P54132 | 2/20 | 0.71 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.71 |
| ▸ | TP53 | P04637 | 1/20 | 0.71 |
| ▸ | ATM | Q13315 | 1/20 | 0.71 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.62 |
| ▸ | CA12 | O43570 | 1/20 | 0.61 |
| ▸ | CA1 | P00915 | 1/20 | 0.61 |
| ▸ | CA2 | P00918 | 1/20 | 0.61 |
| ▸ | CA9 | Q16790 | 1/20 | 0.61 |
| ▸ | MRGPRX1 | Q96LB2 | 1/20 | 0.61 |
| ▸ | BCHE | P06276 | 2/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.58 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 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 | |
|---|---|---|---|---|
| SCHEMBL8082984 | 0.89 | MAPT (0.82) | F2KCNH2GRIN2BMAPTMEN1 | |
| SCHEMBL11838896 | 0.87 | MAPT (0.84) | F2MAPTMEN1GAABLM | |
| SCHEMBL15458727 | 0.84 | MAPT (0.73) | F2MAPTMEN1GAABLM | |
| SCHEMBL2126955 | 0.83 | F2 (0.70) | F2MEN1KMT2APRSS1CA12 | |
| SCHEMBL4667164 | 0.83 | MAPT (1.00) | F2MAPTMEN1GAABLM | |
| SCHEMBL14075904 | 0.83 | F2 (0.70) | F2KCNH2GRIN2BMAPTMEN1 | |
| SCHEMBL3720530 | 0.82 | MEN1 (0.76) | F2MAPTMEN1GAABLM | |
| Hydrochloric Acid SCHEMBL27679067 | 0.82 | F2 (0.68) | F2MEN1KMT2APRSS1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL7422969 | 0.82 | F2 (0.68) | F2MEN1KMT2APRSS1ALDH1A1 | |
| SCHEMBL24124340 | 0.82 | F2 (0.68) | F2KCNH2GRIN2BMAPTMEN1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0927035-A4 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-11-13 | — | — | EP | disclosed |
| EP-0927035-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 1999-07-07 | — | — | EP | disclosed |
| US-5872138-A | INHIBITING LOSS OF BLOOD PLATELETS, INHIBITING FORMATION OF BLOOD PLATELET AGGREGATES, INHIBITING FORMATION OF FIBRIN, INHIBITING THROMBUS FORMATION, AND INHIBITING EMBOLUS FORMATION IN A MAMMAL | MERCK & CO., INC. (US) | 1999-02-16 | — | — | US | disclosed |
| WO-1998010763-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 1998-03-19 | — | — | WO | disclosed |