Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 3/20 | 0.42 |
| ▸ | CHRM3 | P20309 | 3/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 7/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | STAT6 | P42226 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | EGFR | P00533 | 1/20 | 0.36 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL175840 | 1.00 | CHRM5 (0.42) | CHRM5CHRM3SIGMAR1SMN1; SMN2ALDH1A1 | |
| SCHEMBL11854218 | 1.00 | CHRM5 (0.42) | CHRM5CHRM3SIGMAR1SMN1; SMN2ALDH1A1 | |
| SCHEMBL7135906 | 0.98 | CHRM5 (0.41) | CHRM5CHRM3SIGMAR1SMN1; SMN2ALDH1A1 | |
| SCHEMBL8156231 | 0.98 | SMN1; SMN2 (0.42) | CHRM5CHRM3SIGMAR1SMN1; SMN2ALDH1A1 | |
| SCHEMBL15867652 | 0.89 | CHRM5 (0.44) | CHRM5CHRM3SIGMAR1HSD17B10EGFR | |
| SCHEMBL14728217 | 0.84 | CHRM5 (0.45) | CHRM5CHRM3SIGMAR1SMN1; SMN2ALDH1A1 | |
| SCHEMBL7222024 | 0.82 | CHRM5 (0.44) | CHRM5CHRM3SIGMAR1SMN1; SMN2ALDH1A1 | |
| SCHEMBL8686398 | 0.82 | CHRM5 (0.33) | CHRM5CHRM3SIGMAR1 | |
| SCHEMBL10694476 | 0.81 | ALDH1A1 (0.55) | SMN1; SMN2ALDH1A1STAT6HSD17B10 | |
| SCHEMBL17085987 | 0.81 | ALDH1A1 (0.55) | SMN1; SMN2ALDH1A1STAT6HSD17B10 |
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-5994536-A | Process for mono- and 1,7-bis-N-β-hydroxyalkylation of cyclene; N-β-hydroxyalkyl-1,4,7,10-tetraazacyclododecane-lithium-salt complexes and the use of the complexes for the production of gadobutrol and analogs | SCHERING AKTIENGESELLSCHAFT (DE) | 1999-11-30 | — | — | US | disclosed |