Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM5 | P08912 | 2/20 | 0.79 |
| ▸ | CHRM3 | P20309 | 2/20 | 0.79 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | BIRC2 | Q13490 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.46 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CA2 | P00918 | 1/20 | 0.39 |
| ▸ | CHKA | P35790 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL255190 | 0.89 | CHRM5 (1.00) | CHRM5CHRM3ALDH1A1GAASIGMAR1 | |
| Morpholine SCHEMBL8101591 | 0.86 | CHRM5 (0.59) | CHRM5CHRM3ALDH1A1BIRC2GAA | |
| SCHEMBL209616 | 0.84 | GAA (0.63) | CHRM5CHRM3ALDH1A1BIRC2GAA | |
| SCHEMBL6963350 | 0.84 | GAA (0.63) | CHRM5CHRM3ALDH1A1BIRC2GAA | |
| Hydrochloric Acid SCHEMBL27822626 | 0.82 | GAA (0.61) | CHRM5CHRM3ALDH1A1BIRC2GAA | |
| SCHEMBL254801 | 0.82 | GAA (0.67) | CHRM5CHRM3ALDH1A1BIRC2GAA | |
| SCHEMBL7721235 | 0.79 | CHRM5 (0.72) | CHRM5CHRM3ALDH1A1GAASIGMAR1 | |
| SCHEMBL655825 | 0.77 | GAA (0.69) | CHRM5CHRM3ALDH1A1BIRC2GAA | |
| SCHEMBL13417680 | 0.77 | CHRM5 (0.70) | CHRM5CHRM3ALDH1A1GAASIGMAR1 | |
| SCHEMBL23464917 | 0.77 | CHRM5 (0.75) | CHRM5CHRM3ALDH1A1GAASIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998008839-A1 | COMBINATORIAL PROCESS FOR PREPARING SUBSTITUTED THIOPHENE LIBRARIES | ELI LILLY AND COMPANY (US) | 1998-03-05 | — | — | WO | disclosed |