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 | 0.98 |
| ▸ | CHRM2 | P08172 | 8/20 | 0.98 |
| ▸ | CHRM1 | P11229 | 6/20 | 0.96 |
| ▸ | CHRM4 | P08173 | 3/20 | 0.96 |
| ▸ | CHRM5 | P08912 | 3/20 | 0.96 |
| ▸ | TSPO | P30536 | 1/20 | 0.96 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.96 |
| ▸ | HRH1 | P35367 | 1/20 | 0.96 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.96 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.96 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.96 |
| ▸ | TMEM97 | Q5BJF2 | 1/20 | 0.96 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.48 |
| ▸ | BLM | P54132 | 2/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
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 SCHEMBL2231780 | 1.00 | CHRM3 (0.98) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| Tiotropium SCHEMBL433959 | 1.00 | CHRM3 (0.98) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| Tiotropium SCHEMBL155761 | 0.99 | CHRM3 (0.98) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| Tiotropium SCHEMBL1260971 | 0.99 | CHRM3 (0.96) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| Tiotropium SCHEMBL19581677 | 0.99 | CHRM3 (1.00) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| Tiotropium SCHEMBL21483687 | 0.99 | CHRM3 (0.98) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| Tiotropium SCHEMBL14672487 | 0.99 | CHRM3 (1.00) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| Tiotropium SCHEMBL4589 | 0.99 | CHRM3 (1.00) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| Tiotropium SCHEMBL15005742 | 0.99 | CHRM3 (1.00) | CHRM3CHRM2CHRM1CHRM4CHRM5 | |
| Tiotropium SCHEMBL7607795 | 0.99 | CHRM3 (1.00) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2011093812-A2 | PHARMACEUTICAL FORMULATION COMPRISING TIOTROPIUM AND BUDESONIDE IN DRY POWDER FORM | BILGIC MAHMUT (TR) | 2011-08-04 | — | — | WO | disclosed |
| WO-2011093809-A2 | DRY POWDER PHARMACEUTICAL COMPOSITION COMPRISING TIOTROPIUM AND CICLESONIDE | BILGIC MAHMUT (TR) | 2011-08-04 | — | — | WO | disclosed |
| WO-2011093810-A2 | DRY POWDER PHARMACEUTICAL COMPOSITION COMPRISING TIOTROPIUM AND MOMETASONE | MAHMUT BILGIC (TR) | 2011-08-04 | — | — | WO | disclosed |