Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.41 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.41 |
| ▸ | CHRM1 | P11229 | 2/20 | 0.41 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.41 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.41 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | APEX1 | P27695 | 1/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ACACB | O00763 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL18957956 | 0.82 | EPHX1 (0.40) | CHRNB2CHRNA4CHRM1CHRM2CHRM4 | |
| SCHEMBL24991672 | 0.80 | CYP1A2 (0.34) | CHRNB2CHRNA4CHRM1CHRM2CHRM4 | |
| SCHEMBL8374989 | 0.79 | ALDH1A1 (0.54) | CHRNB2CHRNA4SMN1; SMN2EPHX1ALDH1A1 | |
| SCHEMBL17032828 | 0.78 | ACACB (0.38) | CYP2D6NFKB1LMNAALDH1A1TSHR | |
| SCHEMBL7826722 | 0.78 | GAA (0.36) | SMN1; SMN2LMNAALDH1A1TSHRACACB | |
| SCHEMBL17035460 | 0.77 | CHRNB2 (0.39) | CHRNB2CHRNA4CHRM1CHRM2CHRM4 | |
| SCHEMBL15487498 | 0.77 | ALDH1A1 (0.39) | ALDH1A1TSHRACACB | |
| SCHEMBL19014736 | 0.75 | TSHR (0.30) | TSHR | |
| SCHEMBL23327416 | 0.75 | CHRNB2 (0.38) | CHRNB2CHRNA4CHRM1CHRM2CHRM4 | |
| SCHEMBL13003494 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113398126-A | Use of 4' -deferthionin analogues | 佛罗里达大学研究基金会 | 2021-09-17 | — | — | CN | disclosed |