Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.38 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NUDT1 | P36639 | 1/20 | 0.35 |
| ▸ | MAP4K4 | O95819 | 5/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.33 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.33 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.33 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.33 |
| ▸ | PRKDC | P78527 | 1/20 | 0.33 |
| ▸ | PI4KA | P42356 | 3/20 | 0.32 |
| ▸ | PI4K2B | Q8TCG2 | 3/20 | 0.32 |
| ▸ | PI4K2A | Q9BTU6 | 3/20 | 0.32 |
| ▸ | PI4KB | Q9UBF8 | 3/20 | 0.32 |
| ▸ | HSP90B1 | P14625 | 2/20 | 0.32 |
| ▸ | TRAP1 | Q12931 | 1/20 | 0.32 |
| ▸ | PKM | P14618 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL16487461 | 0.83 | HSP90B1 (0.47) | HSP90AA1HSP90AB1ERBB2LMNATSHR | |
| SCHEMBL11980432 | 0.82 | MAP4K4 (0.42) | HSP90AA1HSP90AB1ERBB2LMNATSHR | |
| SCHEMBL13050401 | 0.81 | HSP90AA1 (0.42) | HSP90AA1HSP90AB1ERBB2LMNATSHR | |
| SCHEMBL14467034 | 0.79 | ERBB2 (0.41) | HSP90AA1HSP90AB1ERBB2MAP4K4 | |
| SCHEMBL3517738 | 0.77 | HSP90AA1 (0.40) | HSP90AA1HSP90AB1ERBB2LMNATSHR | |
| SCHEMBL1669646 | 0.76 | ERBB2 (0.40) | HSP90AA1HSP90AB1ERBB2LMNATSHR | |
| SCHEMBL16486623 | 0.76 | HSP90AA1 (0.46) | HSP90AA1HSP90AB1ERBB2LMNATSHR | |
| SCHEMBL15080556 | 0.75 | HSP90AA1 (0.49) | HSP90AA1HSP90AB1ERBB2LMNATSHR | |
| SCHEMBL16486451 | 0.75 | HSP90B1 (0.44) | HSP90AA1HSP90AB1ERBB2LMNATSHR | |
| SCHEMBL3124207 | 0.75 | LMNA (0.36) | HSP90AA1HSP90AB1ERBB2LMNATSHR |
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 |
|---|---|---|---|---|---|---|---|
| CN-105899503-B | Selective GRP94 inhibitors and uses thereof | 纪念斯隆-凯特琳癌症中心 | 2020-08-18 | — | — | CN | disclosed |
| CN-105899503-A | Selective GRP94 inhibitors and uses thereof | 纪念斯隆-凯特琳癌症中心 | 2016-08-24 | — | — | CN | disclosed |