Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.47 |
| ▸ | CA12 | O43570 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.38 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | HRH2 | P25021 | 1/20 | 0.33 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL4877590 | 0.83 | CYP2C19 (0.51) | CYP2C19CA12CA2KEAP1NFE2L2 | |
| SCHEMBL2166315 | 0.82 | ALDH1A1 (0.49) | CYP2C19KEAP1NFE2L2ALDH1A1MAPT | |
| SCHEMBL4878194 | 0.80 | ALDH1A1 (0.47) | CYP2C19KEAP1NFE2L2ALDH1A1MAPT | |
| SCHEMBL3135449 | 0.80 | CYP2C19 (0.47) | CYP2C19CA12CA2KEAP1NFE2L2 | |
| SCHEMBL4876866 | 0.79 | ALDH1A1 (0.46) | CYP2C19KEAP1NFE2L2ALDH1A1MAPT | |
| SCHEMBL4875369 | 0.79 | HRH4 (0.48) | CYP2C19KEAP1NFE2L2ALDH1A1CYP3A4 | |
| SCHEMBL3137466 | 0.79 | CYP2C19 (0.44) | CYP2C19CA2KEAP1NFE2L2ALDH1A1 | |
| SCHEMBL3133737 | 0.79 | CYP2C19 (0.42) | CYP2C19CA2KEAP1NFE2L2ALDH1A1 | |
| SCHEMBL3128908 | 0.77 | CYP2C19 (0.47) | CYP2C19CA12CA2KEAP1NFE2L2 | |
| SCHEMBL4129860 | 0.76 | CYP2C19 (0.61) | CYP2C19KEAP1NFE2L2ALDH1A1HRH2 |
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-8546410-B2 | Heteroaryl-fused macrocyclic pyrimidine derivatives | ABBVIE INC. (US) | 2013-10-01 | — | — | US | disclosed |
| US-8536166-B2 | Inhibitors of Burton's tyrosine kinase | ROCHE PALO ALTO LLC (US) | 2013-09-17 | — | — | US | disclosed |
| US-20100004256-A1 | HETEROARYL-FUSED MACROCYCLIC PYRIMIDINE DERIVATIVES | ABBOTT LABORATORIES (US) | 2010-01-07 | — | — | US | disclosed |
| US-20100004231-A1 | INHIBITORS OF BURTON'S TYROSINE KINASE | ROCHE PALO ALTO LLC | 2010-01-07 | — | — | 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 (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-20100004256-A1 | HETEROARYL-FUSED MACROCYCLIC PYRIMIDINE DERIVATIVES | CDK2, DPYD, CCNB1 | CYP2C19 318/4885CA12 4805/4885CA2 4740/4885 |
| US-20100004231-A1 | INHIBITORS OF BURTON'S TYROSINE KINASE | BTK, LCK, LYN | CYP2C19 1544/4885CA12 4687/4885CA2 2437/4885 |
“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.