Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 6/20 | 0.47 |
| ▸ | AAK1 | Q2M2I8 | 2/20 | 0.35 |
| ▸ | BTK | Q06187 | 2/20 | 0.34 |
| ▸ | P2RY2 | P41231 | 1/20 | 0.34 |
| ▸ | CTSS | P25774 | 1/20 | 0.34 |
| ▸ | CTSK | P43235 | 1/20 | 0.34 |
| ▸ | NPR3 | P17342 | 1/20 | 0.34 |
| ▸ | KLK7 | P49862 | 2/20 | 0.33 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.33 |
| ▸ | WDR5 | P61964 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
| ▸ | EGFR | P00533 | 1/20 | 0.33 |
| ▸ | SYK | P43405 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL20050106 | 0.86 | SYK (0.39) | AAK1P2RY2CTSKKLK5WDR5 | |
| SCHEMBL15956011 | 0.83 | PPARA (0.41) | P2RY2EGFRSYK | |
| SCHEMBL3580317 | 0.83 | PPARA (0.41) | P2RY2EGFRSYK | |
| SCHEMBL3579148 | 0.75 | CACNA1B (0.45) | CACNA1BHDAC6 | |
| SCHEMBL20050109 | 0.71 | EGFR (0.32) | EGFRSYK | |
| SCHEMBL31398897 | 0.71 | PPARA (0.41) | P2RY2CTSSEGFRSYK | |
| SCHEMBL375820 | 0.71 | CACNA1B (0.56) | CACNA1BCTSSCTSKKLK5KMT2A | |
| SCHEMBL3578046 | 0.71 | ALDH1A1 (0.44) | CACNA1BALDH1A1 | |
| SCHEMBL375994 | 0.71 | CACNA1B (0.49) | CACNA1BAAK1CTSSCTSKKLK7 | |
| SCHEMBL14196749 | 0.71 | CACNA1B (0.49) | CACNA1BCTSSCTSKKLK7HDAC4 |
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 |
|---|---|---|---|---|---|---|---|
| US-8217050-B2 | Adenine derivative as inhibitors of HSP90 for the treatment of cancer | CHROMA THERAPEUTICS LIMITED (GB) | 2012-07-10 | — | — | US | disclosed |
| US-20100035901-A1 | ADENINE DERIVATIVE AS INHIBITORS OF HSP90 FOR THE TREATMENT OF CANCER | CHROMA THERAPEUTICS LTD. | 2010-02-11 | — | — | 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-20100035901-A1 | ADENINE DERIVATIVE AS INHIBITORS OF HSP90 FOR THE TREATMENT OF CANCER | HSP90AA1, HSP90AB1, HSP90B1 | CACNA1B 4810/4885AAK1 721/4885BTK 2784/4885 |
“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.