Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 5/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.34 |
| ▸ | GRM2 | Q14416 | 1/20 | 0.34 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL19186557 | 0.83 | CYP1A2 (0.50) | CYP2A6CYP1A2TAAR1KCNH2 | |
| SCHEMBL18625313 | 0.83 | CYP1A2 (0.50) | CYP2A6CYP1A2TAAR1KCNH2 | |
| SCHEMBL23552185 | 0.83 | GRM2 (0.41) | CYP2A6CYP1A2TAAR1GRM2 | |
| SCHEMBL24076488 | 0.82 | CYP1A2 (0.33) | CYP2A6CYP1A2GRM2LMNA | |
| SCHEMBL20850067 | 0.81 | HTR2A (0.36) | CYP2A6CYP1A2TAAR1GRM2 | |
| SCHEMBL18553112 | 0.79 | DAO (0.49) | CYP2A6CYP1A2TAAR1SLC6A2SLC6A4 | |
| SCHEMBL19400463 | 0.79 | TAAR1 (0.45) | CYP2A6CYP1A2TAAR1KCNH2 | |
| SCHEMBL19204657 | 0.77 | TAAR1 (0.43) | TAAR1 | |
| SCHEMBL17208904 | 0.75 | CYP2A6 (0.48) | CYP2A6CYP1A2TDP1TAAR1SIGMAR1 | |
| SCHEMBL19807365 | 0.75 | ALDH1A1 (0.38) | CYP1A2TAAR1SIGMAR1SLC6A2SLC6A4 |
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 |
|---|---|---|---|---|---|---|---|
| US-11542433-B2 | Liquid crystal compounds | MERCK PATENT GMBH (DE) | 2023-01-03 | — | — | US | disclosed |