Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.33 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.33 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | TSHR | P16473 | 3/20 | 0.32 |
| ▸ | TP53 | P04637 | 2/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | APEX1 | P27695 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.32 |
| ▸ | EPHX1 | P07099 | 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 | |
|---|---|---|---|---|
| SCHEMBL20662244 | 1.00 | CHRNB2 (0.33) | CHRNB2CHRNA4CHRM2CHRM4CHRM5 | |
| SCHEMBL20662273 | 1.00 | CHRNB2 (0.33) | CHRNB2CHRNA4CHRM2CHRM4CHRM5 | |
| SCHEMBL28453692 | 0.84 | CHRNB2 (0.48) | CHRNB2CHRNA4CHRM2CHRM4CHRM5 | |
| SCHEMBL30380366 | 0.84 | CHRNB2 (0.48) | CHRNB2CHRNA4CHRM2CHRM4CHRM5 | |
| SCHEMBL21070274 | 0.84 | CHRNB2 (0.48) | CHRNB2CHRNA4CHRM2CHRM4CHRM5 | |
| SCHEMBL21071251 | 0.84 | CHRNB2 (0.48) | CHRNB2CHRNA4CHRM2CHRM4CHRM5 | |
| SCHEMBL22754196 | 0.82 | ALDH1A1 (0.33) | ACHEALDH1A1TSHRTP53HIF1A | |
| SCHEMBL22754259 | 0.82 | ALDH1A1 (0.33) | ACHEALDH1A1TSHRTP53HIF1A | |
| SCHEMBL22754221 | 0.82 | ALDH1A1 (0.33) | ACHEALDH1A1TSHRTP53HIF1A | |
| SCHEMBL21207371 | 0.81 | ALDH1A1 (0.32) | ALDH1A1TSHRTP53HIF1AHSD17B10 |
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-3099681-B1 | CYTOTOXIC TUBULYSIN COMPOUNDS AND CONJUGATES THEREOF | TUBE PHARMACEUTICALS GMBH (AT) | 2020-12-09 | — | — | EP | disclosed |