Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Tiotropium. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 17/20 | 1.00 |
| ▸ | CHRM2 | P08172 | 8/20 | 1.00 |
| ▸ | CHRM1 | P11229 | 6/20 | 0.98 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.98 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.98 |
| ▸ | TSPO | P30536 | 1/20 | 0.98 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.98 |
| ▸ | HRH1 | P35367 | 1/20 | 0.98 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.98 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.98 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.98 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.98 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.49 |
| ▸ | BLM | P54132 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Tiotropium SCHEMBL19581677 | 1.00 | CHRM3 (1.00) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| Tiotropium SCHEMBL29527286 | 1.00 | CHRM3 (1.00) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| Tiotropium SCHEMBL4589 | 1.00 | CHRM3 (1.00) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| Tiotropium SCHEMBL8625 | 1.00 | CHRM3 (1.00) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| Tiotropium SCHEMBL15005742 | 1.00 | CHRM3 (1.00) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| Tiotropium SCHEMBL14672487 | 1.00 | CHRM3 (1.00) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| Tiotropium SCHEMBL440873 | 1.00 | CHRM3 (1.00) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| Tiotropium SCHEMBL155760 | 0.99 | CHRM3 (1.00) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| Tiotropium SCHEMBL5448036 | 0.99 | CHRM3 (0.98) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| Tiotropium SCHEMBL2231775 | 0.99 | CHRM3 (0.98) | CHRM3CHRM2CHRM1CHRM4CHRM5 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20020133010-A1 | Epoxidation; quaternization | BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) | 2002-09-19 | — | — | 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-20020133010-A1 | Epoxidation; quaternization | TET3, HAO2, PPOX | CHRM3 3912/4885CHRM2 3944/4885CHRM1 3373/4885 |
“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.