Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.46 |
| ▸ | CHRNB2 | P17787 | 6/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 4/20 | 0.42 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.42 |
| ▸ | CHRNA7 | P36544 | 6/20 | 0.40 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.39 |
| ▸ | CHRNA2 | Q15822 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | HTR3E | A5X5Y0 | 1/20 | 0.39 |
| ▸ | PSIP1 | O75475 | 1/20 | 0.39 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.39 |
| ▸ | HTR3B | O95264 | 1/20 | 0.39 |
| ▸ | CHRNA1 | P02708 | 1/20 | 0.39 |
| ▸ | CHRNG | P07510 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | CHRNB1 | P11230 | 1/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL28036409 | 0.78 | CYP2C19 (0.42) | CYP2A6CHRNA7LMNACYP2A13 | |
| SCHEMBL12143642 | 0.75 | CYP2A6 (0.66) | CYP2A6CHRNB2CHRNA4CYP11B2CHRNA7 | |
| SCHEMBL18998469 | 0.75 | CYP2A6 (0.66) | CYP2A6CHRNB2CHRNA4CYP11B2CHRNA7 | |
| SCHEMBL19121445 | 0.75 | CYP2A6 (0.66) | CYP2A6CHRNB2CHRNA4CYP11B2CHRNA7 | |
| SCHEMBL11933858 | 0.69 | CHRNB2 (0.47) | CYP2A6CHRNB2CHRNA4CYP11B2CHRNA7 | |
| SCHEMBL9844930 | 0.68 | CYP2A6 (0.49) | CYP2A6CHRNB2CHRNA4CYP11B2CHRNA7 | |
| SCHEMBL19059998 | 0.68 | CYP2A6 (0.40) | CYP2A6CHRNB2CHRNA4CYP11B2CHRNA7 | |
| SCHEMBL29804975 | 0.68 | CHRNB2 (0.56) | CYP2A6CHRNB2CHRNA4CYP11B2CHRNA7 | |
| SCHEMBL27956069 | 0.68 | CYP2A6 (0.56) | CYP2A6CHRNB2CHRNA4CYP11B2CHRNA7 | |
| SCHEMBL19048919 | 0.68 | GAA (0.37) | ALDH1A1LMNATDP1MAPT |
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-3277677-B9 | 1-CYANO-PYRROLIDINE COMPOUNDS AS USP30 INHIBITORS | MISSION THERAPEUTICS LTD (GB) | 2021-07-14 | — | — | EP | disclosed |