Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BRAF | P15056 | 2/20 | 0.74 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.58 |
| ▸ | MEN1 | O00255 | 5/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 5/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | USP2 | O75604 | 2/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.41 |
| ▸ | ABCC1 | P33527 | 2/20 | 0.40 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 0.40 |
| ▸ | LIMK1 | P53667 | 1/20 | 0.40 |
| ▸ | IKBKB | O14920 | 2/20 | 0.40 |
| ▸ | GLA | P06280 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL4491329 | 0.88 | BRAF (0.75) | BRAFHSP90AB1MEN1KMT2ANPSR1 | |
| SCHEMBL1776169 | 0.88 | BRAF (0.74) | BRAFHSP90AB1MEN1KMT2ANPSR1 | |
| SCHEMBL429588 | 0.86 | BRAF (1.00) | BRAFHSP90AB1MEN1KMT2ANPSR1 | |
| SCHEMBL12600461 | 0.85 | BRAF (0.84) | BRAFHSP90AB1MEN1KMT2ANPSR1 | |
| SCHEMBL1776171 | 0.84 | BRAF (0.74) | BRAFHSP90AB1MEN1KMT2ANPSR1 | |
| SCHEMBL1776871 | 0.84 | BRAF (0.79) | BRAFHSP90AB1MEN1KMT2ANPSR1 | |
| SCHEMBL1777095 | 0.83 | BRAF (0.77) | BRAFHSP90AB1MEN1KMT2ANPSR1 | |
| SCHEMBL1777647 | 0.83 | BRAF (0.76) | BRAFHSP90AB1MEN1KMT2ANPSR1 | |
| SCHEMBL2287561 | 0.82 | BRAF (0.89) | BRAFHSP90AB1MEN1KMT2ANPSR1 | |
| SCHEMBL12600475 | 0.82 | BRAF (0.75) | BRAFHSP90AB1MEN1KMT2ANPSR1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7943637-B2 | Thienopyridine derivatives and the use thereof as HSP90 modulators | MERCK PATENT GMBH (DE) | 2011-05-17 | — | — | US | disclosed |