Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 5/20 | 0.60 |
| ▸ | HSP90AB1 | P08238 | 4/20 | 0.60 |
| ▸ | PIM1 | P11309 | 1/20 | 0.42 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.42 |
| ▸ | SSTR2 | P30874 | 4/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.40 |
| ▸ | ADCY10 | Q96PN6 | 1/20 | 0.39 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.38 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.38 |
| ▸ | NPY1R | P25929 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL4221151 | 0.78 | HSP90AA1 (0.65) | HSP90AA1HSP90AB1ADCY10 | |
| SCHEMBL3951313 | 0.77 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1ADCY10CHRNA7 | |
| SCHEMBL7794951 | 0.76 | CHRNB4 (0.47) | PIM1PIM2SSTR2CHRNB4CHRNA3 | |
| SCHEMBL11449105 | 0.75 | CHRNB4 (0.68) | PIM1PIM2CHRNB4CHRNA3 | |
| SCHEMBL3951667 | 0.74 | ADCY10 (0.63) | HSP90AA1HSP90AB1ADCY10CYP2D6 | |
| SCHEMBL3946201 | 0.74 | HSP90AA1 (0.65) | HSP90AA1HSP90AB1ADCY10CHRNA7 | |
| SCHEMBL3944544 | 0.74 | HSP90AA1 (0.76) | HSP90AA1HSP90AB1ADCY10CHRNA7 | |
| SCHEMBL7794880 | 0.74 | CHRNB4 (0.44) | HSP90AA1HSP90AB1PIM1PIM2SSTR2 | |
| SCHEMBL7796351 | 0.73 | CHRNB4 (0.40) | HSP90AA1HSP90AB1PIM1PIM2SSTR2 | |
| SCHEMBL7792222 | 0.73 | CHRNB4 (0.51) | PIM1PIM2CHRNB4CHRNA3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2049497-A2 | PYRIMIDINE DERIVATIVES AS HSP90 INHIBITORS | Astex Therapeutics Limited (GB) | 2009-04-22 | — | — | EP | disclosed |
| WO-2006123165-A2 | PYRIMIDINE DERIVATIVES AS HSP90 INHIBITORS | ASTEX THERAPEUTICS LIMITED (GB) | 2006-11-23 | — | — | WO | disclosed |