Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | LTA4H | P09960 | 1/20 | 0.39 |
| ▸ | GRM2 | Q14416 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | MITF | O75030 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL3855799 | 0.85 | GRM2 (0.52) | SMN1; SMN2NPC1RAB9AHPGDHRH3 | |
| SCHEMBL7320596 | 0.83 | GRM2 (0.39) | SMN1; SMN2NPC1RAB9AHPGDGRM2 | |
| SCHEMBL7311884 | 0.83 | GRM2 (0.41) | SMN1; SMN2NPC1RAB9AHPGDHRH3 | |
| SCHEMBL7311860 | 0.75 | KMT2A (0.56) | SMN1; SMN2NPC1RAB9AHPGDMEN1 | |
| SCHEMBL6671079 | 0.73 | ALDH1A1 (0.61) | HRH3LTA4HGRM2ALDH1A1EPHX2 | |
| SCHEMBL7542979 | 0.72 | F2 (0.55) | SMN1; SMN2NPC1RAB9AHRH3PPARG | |
| Bromide SCHEMBL7310957 | 0.72 | F2 (0.53) | — | |
| SCHEMBL728462 | 0.71 | POLB (0.60) | NPC1RAB9APPARGPPARALTA4H | |
| SCHEMBL7321040 | 0.71 | MAPT (0.50) | SMN1; SMN2NPC1RAB9AHPGDHRH3 | |
| SCHEMBL7538656 | 0.71 | ALDH1A1 (0.63) | HRH3LTA4HGRM2ALDH1A1EPHX2 |
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 |