Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM2 | Q14416 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.37 |
| ▸ | RAB9A | P51151 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | RORC | P51449 | 2/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | MITF | O75030 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL7312703 | 0.83 | SMN1; SMN2 (0.40) | GRM2KDM4EALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL7311884 | 0.83 | GRM2 (0.41) | GRM2KDM4EALDH1A1SMN1; SMN2NPC1 | |
| Bromide SCHEMBL7310957 | 0.72 | F2 (0.53) | — | |
| SCHEMBL7542979 | 0.72 | F2 (0.55) | KDM4EALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL28266229 | 0.71 | POLB (0.55) | KDM4EALDH1A1NPC1RAB9AKMT2A | |
| SCHEMBL7311860 | 0.71 | KMT2A (0.56) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL28563179 | 0.71 | ALDH1A1 (0.54) | GRM2ALDH1A1 | |
| SCHEMBL4886126 | 0.70 | PARP10 (0.55) | GRM2HPGD | |
| SCHEMBL7316990 | 0.70 | CXCR4 (0.56) | KDM4EALDH1A1SMN1; SMN2NPC1RAB9A | |
| SCHEMBL7321040 | 0.68 | MAPT (0.50) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD |
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 |