Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.70 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.50 |
| ▸ | CRHBP | P24387 | 1/20 | 0.50 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | IDO1 | P14902 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.45 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.43 |
| ▸ | CMA1 | P23946 | 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 | |
|---|---|---|---|---|
| SCHEMBL1567143 | 0.83 | CYP2A6 (0.67) | CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2 | |
| SCHEMBL30830946 | 0.83 | CYP2A6 (1.00) | CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2 | |
| SCHEMBL655428 | 0.83 | CYP2A6 (1.00) | CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2 | |
| Hydrochloric Acid SCHEMBL1237491 | 0.81 | CYP2A6 (0.96) | CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2 | |
| SCHEMBL2248829 | 0.80 | CYP2A6 (1.00) | CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2 | |
| SCHEMBL277679 | 0.79 | CYP2A6 (0.71) | CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2 | |
| SCHEMBL31547776 | 0.79 | CYP2A6 (0.71) | CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2 | |
| SCHEMBL2792315 | 0.78 | CYP2A6 (0.67) | CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2 | |
| SCHEMBL3113993 | 0.78 | CYP2A6 (0.67) | CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2 | |
| SCHEMBL2537423 | 0.78 | CYP2A6 (0.67) | CYP2A6CHRNA7SMN1; SMN2CRHBPCRHR2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7803822-B2 | Triazole derivative and use thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-09-28 | — | — | US | disclosed |
| US-20090105253-A1 | Triazole Derivative and Use Thereof | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2009-04-23 | — | — | US | disclosed |
| EP-1867331-A1 | TRIAZOLE DERIVATIVE AND THE USE THEREOF | Takeda Pharmaceutical Company Limited (JP) | 2007-12-19 | — | — | EP | 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-20090105253-A1 | Triazole Derivative and Use Thereof | F2R, HRH4, F2RL3 | CYP2A6 1122/4885CHRNA7 401/4885SMN1; SMN2 4399/4885 |
“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.