Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MITF | O75030 | 1/20 | 0.36 |
| ▸ | PARG | Q86W56 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.35 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.35 |
| ▸ | GRIA3 | P42263 | 1/20 | 0.35 |
| ▸ | GRIA4 | P48058 | 1/20 | 0.35 |
| ▸ | USP2 | O75604 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ENPP2 | Q13822 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL7356439 | 0.82 | ALDH1A1 (0.44) | ALDH1A1KDM4ERAB9ATSHRPARG | |
| SCHEMBL7356239 | 0.79 | ALDH1A1 (0.47) | ALDH1A1KDM4ERAB9ATSHRMITF | |
| SCHEMBL7356005 | 0.77 | ALDH1A1 (0.42) | ALDH1A1KDM4ERAB9ATSHRMITF | |
| SCHEMBL7356994 | 0.72 | ALDH1A1 (0.42) | ALDH1A1KDM4ERAB9ATSHRMITF | |
| SCHEMBL7773566 | 0.67 | MAPT (0.44) | ALDH1A1KDM4ERAB9ATSHRSMN1; SMN2 | |
| SCHEMBL8123028 | 0.67 | F2 (0.44) | ALDH1A1RAB9ASMN1; SMN2KMT2A | |
| SCHEMBL7771930 | 0.65 | SMN1; SMN2 (0.43) | ALDH1A1KDM4ERAB9ATSHRMITF | |
| SCHEMBL7362798 | 0.65 | POLB (0.39) | ALDH1A1KDM4ETSHRSMN1; SMN2GRIA1 | |
| SCHEMBL7231594 | 0.64 | ALDH1A1 (0.46) | ALDH1A1KDM4ERAB9AMITFPARG | |
| SCHEMBL7772077 | 0.64 | MAPT (0.37) | ALDH1A1KDM4ESMN1; SMN2USP2HPGD |
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-1117660-A4 | THROMBIN INHIBITORS | MERCK & CO INC (US) | 2002-01-09 | — | — | EP | disclosed |
| EP-1117660-A1 | THROMBIN INHIBITORS | Merck & Co., Inc. (US) | 2001-07-25 | — | — | EP | disclosed |
| US-6117888-A | N-((2-AMINO-6-METHYLPYRID-5YL)METHYLAMINOCARBONYLMETHYL)PYRIDO NE-4-SULFONAMIDES | MERCK & CO., INC. (US) | 2000-09-12 | — | — | US | disclosed |
| WO-2000018762-A1 | THROMBIN INHIBITORS | MERCK & CO., INC. (US) | 2000-04-06 | — | — | WO | disclosed |