Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | HSP90AB1 | P08238 | 8/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | CHUK | O15111 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 3/20 | 0.33 |
| ▸ | CA2 | P00918 | 3/20 | 0.33 |
| ▸ | CA7 | P43166 | 3/20 | 0.33 |
| ▸ | CA13 | Q8N1Q1 | 3/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | IMPDH2 | P12268 | 1/20 | 0.31 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | TP53 | P04637 | 1/20 | 0.30 |
| ▸ | GAA | P10253 | 1/20 | 0.30 |
| ▸ | HPGD | P15428 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL13798687 | 0.77 | CYP1A2 (0.30) | CYP1A2CYP2C9CYP2C19KMT2A | |
| SCHEMBL2562784 | 0.73 | CYP1A2 (0.33) | CYP1A2CYP2C9CYP2C19KMT2AHSP90AB1 | |
| SCHEMBL13798686 | 0.72 | KMT2A (0.37) | CYP1A2CYP2C9CYP2C19KMT2AKDM4E | |
| SCHEMBL14421907 | 0.72 | CHUK (0.61) | CYP1A2CYP2C9CYP2C19KMT2AHSP90AB1 | |
| SCHEMBL13798685 | 0.71 | PIM1 (0.34) | KMT2AKDM4ELMNA | |
| SCHEMBL31279583 | 0.69 | KMT2A (0.42) | CYP1A2CYP2C9CYP2C19KMT2ACA1 | |
| SCHEMBL440008 | 0.69 | KMT2A (0.42) | CYP1A2CYP2C9CYP2C19KMT2ACA1 | |
| SCHEMBL31153817 | 0.69 | CDK2 (0.46) | KMT2AKDM4EALDH1A1LMNAGAA | |
| SCHEMBL2132489 | 0.66 | KMT2A (0.60) | CYP1A2CYP2C9CYP2C19KMT2ACA1 | |
| SCHEMBL31714743 | 0.66 | HTT (0.40) | CYP1A2CYP2C9CYP2C19KMT2AHSP90AB1 |
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 | CYP1A2 1056/4885CYP2C9 2665/4885CYP2C19 2208/4885 |
“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.