Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AA1 | P07900 | 9/20 | 0.71 |
| ▸ | HSP90AB1 | P08238 | 6/20 | 0.57 |
| ▸ | IKBKB | O14920 | 1/20 | 0.45 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | TP53 | P04637 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | DCPS | Q96C86 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL3952648 | 0.90 | HSP90AA1 (0.81) | HSP90AA1HSP90AB1CHRNA7ALDH1A1KDM4E | |
| SCHEMBL3943592 | 0.84 | HSP90AA1 (0.81) | HSP90AA1HSP90AB1IKBKBCHRNA7MEN1 | |
| SCHEMBL14359627 | 0.83 | HSP90AA1 (0.75) | HSP90AA1HSP90AB1IKBKBMEN1KMT2A | |
| SCHEMBL3951578 | 0.83 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1CHRNA7ALDH1A1RAB9A | |
| SCHEMBL3942054 | 0.76 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1CHRNA7ALDH1A1KDM4E | |
| SCHEMBL8441978 | 0.76 | MEN1 (0.47) | HSP90AA1HSP90AB1IKBKBMEN1KMT2A | |
| SCHEMBL3952084 | 0.75 | HSP90AA1 (0.71) | HSP90AA1HSP90AB1CHRNA7ALDH1A1KDM4E | |
| SCHEMBL7235549 | 0.75 | TP53 (0.53) | HSP90AA1HSP90AB1IKBKBMEN1KMT2A | |
| SCHEMBL3945239 | 0.74 | HSP90AA1 (0.61) | HSP90AA1HSP90AB1KDM4EPIK3CDPIK3CA | |
| SCHEMBL3951313 | 0.73 | HSP90AA1 (1.00) | HSP90AA1HSP90AB1CHRNA7ALDH1A1KDM4E |
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 | HSP90AA1 4/4885HSP90AB1 1/4885IKBKB 618/4885 |
“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.