Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CACNA1B | Q00975 | 6/20 | 0.56 |
| ▸ | CTSS | P25774 | 6/20 | 0.47 |
| ▸ | CTSK | P43235 | 5/20 | 0.47 |
| ▸ | ACE | P12821 | 2/20 | 0.44 |
| ▸ | CTSL | P07711 | 1/20 | 0.44 |
| ▸ | CTSB | P07858 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.43 |
| ▸ | ITGB3 | P05106 | 1/20 | 0.43 |
| ▸ | ITGA2B | P08514 | 1/20 | 0.43 |
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL12333298 | 0.90 | CACNA1B (0.57) | CACNA1BCTSSCTSKACECTSL | |
| SCHEMBL193076 | 0.90 | CACNA1B (0.59) | CACNA1BCTSSCTSKACECTSL | |
| SCHEMBL193077 | 0.90 | CACNA1B (0.59) | CACNA1BCTSSCTSKACECTSL | |
| SCHEMBL10076795 | 0.89 | CACNA1B (0.70) | CACNA1BCTSSCTSKACECTSL | |
| SCHEMBL375820 | 0.89 | CACNA1B (0.56) | CACNA1BCTSSCTSKACECTSL | |
| SCHEMBL5820678 | 0.89 | CTSS (0.57) | CACNA1BCTSSCTSKACECTSL | |
| SCHEMBL5820675 | 0.89 | CTSS (0.57) | CACNA1BCTSSCTSKACECTSL | |
| SCHEMBL376098 | 0.85 | CACNA1B (0.52) | CACNA1BCTSSCTSKACE | |
| SCHEMBL5887534 | 0.84 | CTSS (0.53) | CTSSCTSKACECTSLCTSB | |
| SCHEMBL5887530 | 0.84 | CTSS (0.53) | CTSSCTSKACECTSLCTSB |
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 10 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-8106091-B2 | Inhibitors of IKK-beta serine-threonine protein kinase | CHROMA THERAPEUTICS LTD. (GB) | 2012-01-31 | — | — | US | disclosed |
| US-8106091-B2 | Inhibitors of IKK-beta serine-threonine protein kinase | CHROMA THERAPEUTICS LTD. (GB) | 2012-01-31 | — | — | US | disclosed |
| EP-2086956-B1 | INHIBITORS OF IKK- BETA SERINE-THREONINE PROTEIN KINASE | CHROMA THERAPEUTICS LTD (GB) | 2011-09-14 | — | — | EP | disclosed |
| US-20100069473-A1 | Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase | CHROMA THERAPEUTICS LTD. (GB) | 2010-03-18 | — | — | US | disclosed |
| US-20100069473-A1 | Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase | CHROMA THERAPEUTICS LTD. (GB) | 2010-03-18 | — | — | 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 |
| WO-2008053185-A1 | INHIBITORS OF IKK-β SERINE-THREONINE PROTEIN KINASE | CHROMA THERAPEUTICS LTD. (GB) | 2008-05-08 | — | — | 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 (2 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-20100069473-A1 | Inhibitors Of IKK-Beta Serine-Threonine Protein Kinase | IKBKB, IKBKE, CHUK | CACNA1B 2344/4885CTSS 2844/4885CTSK 2888/4885 |
| US-20100035901-A1 | ADENINE DERIVATIVE AS INHIBITORS OF HSP90 FOR THE TREATMENT OF CANCER | HSP90AA1, HSP90AB1, HSP90B1 | CACNA1B 4810/4885CTSS 4530/4885CTSK 4422/4885 |
“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.