Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRM2 | P08172 | 1/20 | 0.68 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.49 |
| ▸ | SCN8A | Q9UQD0 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.48 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.48 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.48 |
| ▸ | FES | P07332 | 1/20 | 0.44 |
| ▸ | RET | P07949 | 1/20 | 0.44 |
| ▸ | MARK3 | P27448 | 1/20 | 0.44 |
| ▸ | TYK2 | P29597 | 1/20 | 0.44 |
| ▸ | FLT4 | P35916 | 1/20 | 0.44 |
| ▸ | SYK | P43405 | 1/20 | 0.44 |
| ▸ | CLK2 | P49760 | 1/20 | 0.44 |
| ▸ | CLK4 | Q9HAZ1 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | FAAH | O00519 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL10556589 | 0.88 | CHRM2 (0.81) | CHRM2CYP1A2CYP2D6SCN8AALDH1A1 | |
| SCHEMBL11083068 | 0.88 | CHRM2 (0.81) | CHRM2CYP1A2CYP2D6SCN8AALDH1A1 | |
| SCHEMBL19509215 | 0.88 | CHRM2 (0.81) | CHRM2CYP1A2CYP2D6SCN8AALDH1A1 | |
| SCHEMBL8093574 | 0.88 | CHRM2 (0.52) | CHRM2CYP1A2CYP2D6SCN8AALDH1A1 | |
| SCHEMBL2188249 | 0.87 | CHRM2 (0.78) | CHRM2CYP1A2CYP2D6SCN8AALDH1A1 | |
| SCHEMBL728747 | 0.87 | CYP1A2 (0.65) | CHRM2CYP1A2CYP2D6SCN8AALDH1A1 | |
| SCHEMBL2711100 | 0.82 | CHRM2 (0.75) | CHRM2CYP1A2CYP2D6SCN8AALDH1A1 | |
| SCHEMBL11594897 | 0.79 | CHRM2 (0.93) | CHRM2CYP1A2CYP2D6SCN8AALDH1A1 | |
| SCHEMBL27298367 | 0.78 | CHRM2 (0.69) | CHRM2CYP1A2CYP2D6SCN8AALDH1A1 | |
| SCHEMBL2187759 | 0.77 | TDP1 (0.70) | CHRM2CYP1A2CYP2D6ALDH1A1NPSR1 |
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 |