Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.42 |
| ▸ | NSD2 | O96028 | 2/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 2/20 | 0.37 |
| ▸ | SMPD3 | Q9NY59 | 1/20 | 0.36 |
| ▸ | HTR2C | P28335 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | WHR1 | P49842 | 1/20 | 0.32 |
| ▸ | FGFR1 | P11362 | 2/20 | 0.32 |
| ▸ | FGFR2 | P21802 | 2/20 | 0.32 |
| ▸ | FGFR4 | P22455 | 2/20 | 0.32 |
| ▸ | FGFR3 | P22607 | 2/20 | 0.32 |
| ▸ | KDR | P35968 | 2/20 | 0.32 |
| ▸ | TTK | P33981 | 1/20 | 0.32 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL13811571 | 0.80 | HSP90AB1 (0.41) | HSP90AB1MCHR1KDM4EALDH1A1HPGD | |
| SCHEMBL13811530 | 0.74 | HSP90AB1 (0.59) | HSP90AB1NSD2MCHR1HTR2CHTR2A | |
| SCHEMBL2568036 | 0.73 | HSP90AB1 (0.55) | HSP90AB1NSD2HTR2C | |
| SCHEMBL13811529 | 0.70 | HSP90AB1 (0.54) | HSP90AB1NSD2HTR2CHTR2A | |
| SCHEMBL12161188 | 0.66 | HSP90AB1 (0.80) | HSP90AB1NSD2 | |
| SCHEMBL2565242 | 0.65 | HSP90AB1 (0.63) | HSP90AB1NSD2 | |
| SCHEMBL5260766 | 0.65 | MCHR1 (0.52) | HSP90AB1NSD2MCHR1HTR2CKDM4E | |
| SCHEMBL2563850 | 0.64 | HSP90AB1 (0.60) | HSP90AB1KDM4EALDH1A1 | |
| SCHEMBL5258701 | 0.61 | MCHR1 (0.49) | MCHR1HTR2CALDH1A1HPGD | |
| SCHEMBL2564918 | 0.61 | HSP90AB1 (0.73) | HSP90AB1 |
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-20090163490-A1 | Pyrrolopyrimidine Derivatives Used As HSP90 Inhibitors | VERNALIS (R&D) LTD. (GB) | 2009-06-25 | — | — | US | 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-20090163490-A1 | Pyrrolopyrimidine Derivatives Used As HSP90 Inhibitors | HSP90AA1, HSP90AB1, RAF1 | HSP90AB1 2/4885NSD2 2144/4885MCHR1 4400/4885 |
“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.