Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ADORA2A | P29274 | 3/20 | 0.40 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.38 |
| ▸ | AURKA | O14965 | 1/20 | 0.38 |
| ▸ | PRKACA | P17612 | 1/20 | 0.38 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.37 |
| ▸ | HRH4 | Q9H3N8 | 2/20 | 0.37 |
| ▸ | CDK2 | P24941 | 2/20 | 0.36 |
| ▸ | CDK4 | P11802 | 1/20 | 0.36 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.36 |
| ▸ | CDK1 | P06493 | 2/20 | 0.35 |
| ▸ | CDC7 | O00311 | 2/20 | 0.35 |
| ▸ | CAMKK2 | Q96RR4 | 1/20 | 0.35 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1334581 | 1.00 | ADORA2A (0.40) | ADORA2AADORA1HRH3HSP90AA1AURKA | |
| SCHEMBL2036795 | 0.91 | ADORA2A (0.45) | ADORA2AADORA1HRH3HSP90AA1AURKA | |
| Hydrochloric Acid SCHEMBL2018276 | 0.89 | ADORA2A (0.44) | ADORA2AADORA1HRH3HSP90AA1AURKA | |
| SCHEMBL28317093 | 0.83 | HRH4 (0.44) | ADORA2AADORA1HRH3HSP90AA1AURKA | |
| SCHEMBL1270087 | 0.83 | HRH4 (0.49) | ADORA2AADORA1HRH3HSP90AA1AURKA | |
| SCHEMBL31226997 | 0.82 | CDK1 (0.47) | ADORA2AADORA1HRH3HSP90AA1AURKA | |
| SCHEMBL1334272 | 0.81 | HRH4 (0.47) | ADORA2AADORA1HRH3HSP90AA1AURKA | |
| SCHEMBL18382099 | 0.79 | HRH4 (0.53) | HRH3ROCK1HRH4CDC7 | |
| SCHEMBL2571086 | 0.79 | PIK3CD (0.50) | ADORA2AADORA1HRH3HSP90AA1AURKA | |
| SCHEMBL20292302 | 0.79 | HRH4 (0.57) | ADORA2AHRH3HSP90AA1AURKAPRKACA |
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-8513242-B2 | Pyrimidine compounds and methods of making and using same | CYSTIC FIBROSIS FOUNDATION THERAPEUTICS, INC. (US) | 2013-08-20 | — | — | US | disclosed |
| US-20110281873-A1 | Pyrimidine Compounds and Methods of Making and Using Same | CYSTIC FIBROSIS FOUNDATION | 2011-11-17 | — | — | 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-20110281873-A1 | Pyrimidine Compounds and Methods of Making and Using Same | CFTR, GPR17, TYMS | ADORA2A 158/4885ADORA1 122/4885HRH3 2673/4885 |
“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.