Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 2/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | AHCY | P23526 | 2/20 | 0.43 |
| ▸ | PI4KA | P42356 | 1/20 | 0.43 |
| ▸ | PI4K2B | Q8TCG2 | 1/20 | 0.43 |
| ▸ | PI4K2A | Q9BTU6 | 1/20 | 0.43 |
| ▸ | PI4KB | Q9UBF8 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CACNA1B | Q00975 | 5/20 | 0.41 |
| ▸ | DOT1L | Q8TEK3 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | THPO | P40225 | 1/20 | 0.40 |
| ▸ | BLM | P54132 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | ADCY5 | O95622 | 1/20 | 0.39 |
| ▸ | FAP | Q12884 | 2/20 | 0.39 |
| ▸ | METTL3 | Q86U44 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3579148 | 0.89 | CACNA1B (0.45) | CACNA1B | |
| SCHEMBL3582279 | 0.83 | ADORA2A (0.47) | ADORA2AADORA1CACNA1B | |
| SCHEMBL10314815 | 0.83 | ADORA2A (0.47) | ADORA2AADORA1CACNA1B | |
| SCHEMBL3570080 | 0.80 | CACNA1B (0.43) | PI4KAPI4K2BPI4K2API4KBCACNA1B | |
| SCHEMBL8627294 | 0.76 | ALDH1A1 (0.50) | ALDH1A1ADORA2AADORA1AHCYPI4KA | |
| SCHEMBL23794500 | 0.74 | CYP3A4 (0.53) | CYP3A4FAP | |
| SCHEMBL19899766 | 0.74 | CYP3A4 (0.53) | CYP3A4FAP | |
| SCHEMBL21468675 | 0.74 | CYP3A4 (0.53) | CYP3A4FAP | |
| SCHEMBL21468676 | 0.74 | CYP3A4 (0.53) | CYP3A4FAP | |
| SCHEMBL3574110 | 0.74 | HSP90AA1 (0.42) | — |
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 4 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 |
| EP-2084161-A1 | ADENINE DERIVATIVES AS INHIBITORS OF HSP90 FOR THE TREATMENT OF CANCER | Chroma Therapeutics Limited (GB) | 2009-08-05 | — | — | EP | disclosed |
| WO-2008056120-A1 | ADENINE DERIVATIVES AS INHIBITORS OF HSP90 FOR THE TREATMENT OF CANCER | CHROMA THERAPEUTICS LTD (GB) | 2008-05-15 | — | — | 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-20100035901-A1 | ADENINE DERIVATIVE AS INHIBITORS OF HSP90 FOR THE TREATMENT OF CANCER | HSP90AA1, HSP90AB1, HSP90B1 | ALDH1A1 1557/4885ADORA2A 157/4885ADORA1 53/4885 |
“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.