Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.65 |
| ▸ | HSP90AA1 | P07900 | 3/20 | 0.64 |
| ▸ | HRH4 | Q9H3N8 | 1/20 | 0.56 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.49 |
| ▸ | PIK3CA | P42336 | 7/20 | 0.48 |
| ▸ | HTR2B | P41595 | 1/20 | 0.47 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.47 |
| ▸ | MTOR | P42345 | 2/20 | 0.46 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.45 |
| ▸ | PIK3CB | P42338 | 1/20 | 0.45 |
| ▸ | PIK3CG | P48736 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29808150 | 0.87 | HSP90AA1 (0.69) | SMN1; SMN2ALDH1A1HSP90AA1HRH4HSP90AB1 | |
| SCHEMBL27907211 | 0.87 | HSP90AA1 (0.69) | SMN1; SMN2ALDH1A1HSP90AA1HRH4HSP90AB1 | |
| SCHEMBL2490905 | 0.87 | HSP90AA1 (0.69) | SMN1; SMN2ALDH1A1HSP90AA1HRH4HSP90AB1 | |
| SCHEMBL27580146 | 0.81 | HSP90AA1 (0.46) | SMN1; SMN2ALDH1A1HSP90AA1HRH4CYP1A2 | |
| SCHEMBL4086070 | 0.78 | HSP90AA1 (1.00) | SMN1; SMN2ALDH1A1HSP90AA1HRH4HSP90AB1 | |
| SCHEMBL28850503 | 0.77 | ALDH1A1 (0.63) | SMN1; SMN2ALDH1A1HSP90AA1PIK3CAMTOR | |
| SCHEMBL18015441 | 0.76 | LDHA (0.54) | SMN1; SMN2ALDH1A1HSP90AA1HRH4CYP1A2 | |
| SCHEMBL14529264 | 0.74 | ALDH1A1 (0.54) | SMN1; SMN2ALDH1A1HSP90AA1HRH4HSP90AB1 | |
| SCHEMBL1131125 | 0.73 | ADORA2A (0.72) | SMN1; SMN2ALDH1A1HSP90AA1HRH4HSP90AB1 | |
| SCHEMBL14164034 | 0.73 | ALDH1A1 (0.49) | SMN1; SMN2ALDH1A1HSP90AA1HRH4CYP1A2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090215777-A1 | Pyrimidine Derivatives As HSP90 Inhibitors | ASTEX THERAPEUTICS LTD. (GB) | 2009-08-27 | — | — | US | disclosed |
| US-20090215777-A1 | Pyrimidine Derivatives As HSP90 Inhibitors | ASTEX THERAPEUTICS LTD. (GB) | 2009-08-27 | — | — | US | disclosed |
| US-20090215777-A1 | Pyrimidine Derivatives As HSP90 Inhibitors | ASTEX THERAPEUTICS LTD. (GB) | 2009-08-27 | — | — | US | disclosed |
| 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 |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090215777-A1 | Pyrimidine Derivatives As HSP90 Inhibitors | HSP90AB1, HSP90AB2P, HSP90B1 | SMN1; SMN2 3787/4885ALDH1A1 3114/4885HSP90AA1 4/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.