Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Methacholine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM3 known ✓ | P20309 | 4/20 | 0.49 |
| ▸ | CHRM1 | P11229 | 5/20 | 0.70 |
| ▸ | CHRM2 | P08172 | 4/20 | 0.70 |
| ▸ | CHRM4 | P08173 | 4/20 | 0.70 |
| ▸ | TSHR | P16473 | 3/20 | 0.70 |
| ▸ | TBXA2R | P21731 | 2/20 | 0.70 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.68 |
| ▸ | GALR3 | O60755 | 3/20 | 0.68 |
| ▸ | MAPT | P10636 | 3/20 | 0.68 |
| ▸ | BLM | P54132 | 2/20 | 0.68 |
| ▸ | LMNA | P02545 | 4/20 | 0.49 |
| ▸ | CHRM5 | P08912 | 4/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | HTR1A | P08908 | 2/20 | 0.44 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.44 |
| ▸ | CHRNA7 | P36544 | 2/20 | 0.44 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.44 |
| ▸ | PGR | P06401 | 1/20 | 0.44 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.44 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Methacholine SCHEMBL424740 | 0.86 | CHRM1 (0.95) | CHRM1CHRM2CHRM4TSHRTBXA2R | |
| Methacholine SCHEMBL1539028 | 0.86 | CHRM1 (0.95) | CHRM1CHRM2CHRM4TSHRTBXA2R | |
| Methacholine SCHEMBL24465400 | 0.84 | CHRM1 (1.00) | CHRM1CHRM2CHRM4TSHRTBXA2R | |
| Methacholine SCHEMBL69103 | 0.84 | CHRM1 (1.00) | CHRM1CHRM2CHRM4TSHRTBXA2R | |
| Methacholine SCHEMBL15578379 | 0.83 | CHRM1 (0.64) | CHRM1CHRM2CHRM4TSHRTBXA2R | |
| Methacholine SCHEMBL69104 | 0.82 | MAPT (1.00) | CHRM1CHRM2CHRM4TSHRTBXA2R | |
| Methacholine SCHEMBL16340808 | 0.82 | CHRM1 (0.95) | CHRM1CHRM2CHRM4TSHRTBXA2R | |
| Methacholine SCHEMBL2349212 | 0.82 | CHRM1 (0.95) | CHRM1CHRM2CHRM4TSHRTBXA2R | |
| Methacholine SCHEMBL1256548 | 0.82 | CHRM1 (0.95) | CHRM1CHRM2CHRM4TSHRTBXA2R | |
| Methacholine SCHEMBL1536636 | 0.78 | TSHR (0.72) | CHRM1CHRM2CHRM4TSHRTBXA2R |
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 |
|---|---|---|---|---|---|---|---|
| EP-2417161-A1 | ANTIBODIES AGAINST IL-17BR | Medical Research Council (GB) | 2012-02-15 | — | — | EP | disclosed |