Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 6/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | KAT6A | Q92794 | 1/20 | 0.45 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.41 |
| ▸ | CA2 | P00918 | 1/20 | 0.41 |
| ▸ | CA9 | Q16790 | 1/20 | 0.41 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.41 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL8543957 | 0.84 | ALDH1A1 (0.49) | PTGS1SMN1; SMN2NPSR1HSD17B10KDM4C | |
| SCHEMBL26163053 | 0.83 | HDAC1 (0.62) | KDM4EALDH1A1KAT6AMEN1KMT2A | |
| SCHEMBL22789845 | 0.81 | KAT6A (0.49) | PTGS1KDM4EKAT6AMEN1KMT2A | |
| SCHEMBL26163076 | 0.81 | FLT1 (0.60) | SMN1; SMN2ALDH1A1CA1CA2NPC1 | |
| SCHEMBL26163072 | 0.81 | FLT1 (0.56) | SMN1; SMN2ALDH1A1KAT6AMEN1KMT2A | |
| SCHEMBL17806411 | 0.80 | SMN1; SMN2 (0.51) | PTGS1SMN1; SMN2NPSR1HSD17B10KDM4C | |
| SCHEMBL22503271 | 0.80 | PTGS1 (0.50) | PTGS1SMN1; SMN2KDM4EMEN1KMT2A | |
| SCHEMBL178335 | 0.80 | HDAC3 (0.52) | HSD17B10KAT6AMEN1KMT2ALMNA | |
| SCHEMBL22503070 | 0.79 | ACHE (0.56) | NPSR1ALDH1A1KAT6AMEN1KMT2A | |
| SCHEMBL26163124 | 0.79 | SCN5A (0.42) | SMN1; SMN2NPSR1ALDH1A1KAT6AMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5360802-A | Antagonists of cholecystokinin and gastrin | MERCK SHARPE & DOHME LTD. | 1994-11-01 | — | — | US | disclosed |
| EP-0514133-A1 | Benzodiazepine derivatives, compositions containing them and their use in therapy | MERCK SHARP & DOHME LTD. (GB) | 1992-11-19 | — | — | EP | disclosed |