Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.37 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.36 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL20201383 | 0.88 | HTT (0.32) | CHRNB4CHRNA3SIGMAR1 | |
| SCHEMBL960800 | 0.79 | CYP1A2 (0.44) | CYP1A2SIGMAR1 | |
| SCHEMBL960799 | 0.79 | CYP1A2 (0.44) | CYP1A2SIGMAR1 | |
| SCHEMBL8266965 | 0.79 | CYP1A2 (0.44) | CYP1A2SIGMAR1 | |
| SCHEMBL15471192 | 0.78 | SIGMAR1 (0.43) | SIGMAR1 | |
| SCHEMBL24251786 | 0.76 | CYP1A2 (0.41) | CYP1A2SIGMAR1 | |
| SCHEMBL19114762 | 0.74 | SIGMAR1 (0.43) | CYP1A2CHRNB4CHRNA3SIGMAR1CHRNB2 | |
| SCHEMBL13559697 | 0.74 | SIGMAR1 (0.43) | CYP1A2CHRNB4CHRNA3SIGMAR1CHRNB2 | |
| SCHEMBL5961378 | 0.74 | CYP1A2 (0.52) | CYP1A2SIGMAR1 | |
| SCHEMBL20798648 | 0.73 | CYP1A2 (0.39) | CYP1A2SIGMAR1 |
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-9796712-B2 | Heteroaryl compounds for kinase inhibition | ARIAD PHARMACEUTICALS, INC. (US) | 2017-10-24 | — | — | US | disclosed |
| US-9796712-B2 | Heteroaryl compounds for kinase inhibition | ARIAD PHARMACEUTICALS, INC. (US) | 2017-10-24 | — | — | US | disclosed |
| US-20170253594-A1 | HETEROARYL COMPOUNDS FOR KINASE INHIBITION | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-09-07 | — | — | US | disclosed |
| US-20170253594-A1 | HETEROARYL COMPOUNDS FOR KINASE INHIBITION | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2017-09-07 | — | — | 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 (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-20170253594-A1 | HETEROARYL COMPOUNDS FOR KINASE INHIBITION | ERBB2, EGFR, ERBB3 | CYP1A2 2605/4885CHRNB4 4179/4885CHRNA3 4351/4885 |
“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.