Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.43 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.43 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.43 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.43 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.41 |
| ▸ | LTA4H | P09960 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL7702220 | 1.00 | SLC6A3 (0.46) | SLC6A3SIGMAR1ALDH1A1SMN1; SMN2CHRM2 | |
| SCHEMBL7707642 | 0.98 | SIGMAR1 (0.47) | SLC6A3SIGMAR1ALDH1A1SMN1; SMN2CHRM2 | |
| SCHEMBL7707628 | 0.98 | SIGMAR1 (0.47) | SLC6A3SIGMAR1ALDH1A1SMN1; SMN2CHRM2 | |
| SCHEMBL7707635 | 0.98 | SIGMAR1 (0.47) | SLC6A3SIGMAR1ALDH1A1SMN1; SMN2CHRM2 | |
| SCHEMBL7707641 | 0.85 | HTT (0.51) | SIGMAR1ALDH1A1SMN1; SMN2KMT2AMAPT | |
| SCHEMBL7704834 | 0.85 | SIGMAR1 (0.53) | SLC6A3SIGMAR1ALDH1A1CHRM2CHRM4 | |
| SCHEMBL7707618 | 0.85 | HTT (0.51) | SIGMAR1ALDH1A1SMN1; SMN2KMT2AMAPT | |
| SCHEMBL7704832 | 0.85 | SIGMAR1 (0.53) | SLC6A3SIGMAR1ALDH1A1CHRM2CHRM4 | |
| SCHEMBL7708048 | 0.85 | SIGMAR1 (0.53) | SLC6A3SIGMAR1ALDH1A1CHRM2CHRM4 | |
| SCHEMBL7707616 | 0.85 | HTT (0.51) | SIGMAR1ALDH1A1SMN1; SMN2KMT2AMAPT |
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-6359174-B1 | REACTING ALLYL REACTANT WITH ACID CHLORIDE IN PRESENCE OF LEWIS ACID CATALYST | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA | 2002-03-19 | — | — | US | disclosed |