Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRD4 | O60885 | 2/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.39 |
| ▸ | SCN3A | Q9NY46 | 5/20 | 0.39 |
| ▸ | SCN4A | P35499 | 3/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | DDX3X | O00571 | 1/20 | 0.38 |
| ▸ | BLK | P51451 | 1/20 | 0.37 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.37 |
| ▸ | PTK6 | Q13882 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | GFER | P55789 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL8824740 | 0.86 | SCN3A (0.42) | BRD4HSP90AA1HSP90AB1SCN3ASCN4A | |
| SCHEMBL23455582 | 0.84 | PTK2 (0.48) | BRD4ALDH1A1LMNAKDM4EMEN1 | |
| SCHEMBL8824667 | 0.81 | BRD4 (0.46) | BRD4HSP90AA1HSP90AB1SCN9A | |
| SCHEMBL5735444 | 0.77 | AURKA (0.39) | MEN1GAAMAPTKMT2A | |
| SCHEMBL29795977 | 0.77 | HSP90AA1 (0.41) | BRD4HSP90AA1HSP90AB1SCN3ASCN4A | |
| SCHEMBL23213623 | 0.77 | HSP90AA1 (0.41) | BRD4HSP90AA1HSP90AB1SCN3ASCN4A | |
| SCHEMBL9301962 | 0.74 | HSP90AA1 (0.39) | BRD4HSP90AA1HSP90AB1SCN3ASCN4A | |
| SCHEMBL9301953 | 0.74 | HSP90AB1 (0.39) | BRD4HSP90AA1HSP90AB1SCN3ASCN9A | |
| SCHEMBL8824676 | 0.73 | BRD4 (0.47) | BRD4SCN3ASCN4ASCN9A | |
| SCHEMBL13326810 | 0.72 | ATR (0.40) | BRD4HSP90AA1HSP90AB1 |
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-5681833-A | ADMINSTERING FOR TREATMENT OF PEPTIC ULCER | MERCK, SHARP & DOHME LTD. (GB) | 1997-10-28 | — | — | US | disclosed |
| WO-1993019052-A1 | 3-UREIDO SUBSTITUTED BENZODIAZEPIN-2-ONES HAVING CHOLECYSTOKININ AND/OR GASTRIN ANTAGONISTIC ACTIVITY AND THEIR USE IN THERAPY | MERCK SHARP & DOHME LIMITED (GB) | 1993-09-30 | — | — | WO | disclosed |