Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.41 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.36 |
| ▸ | NOS3 | P29474 | 2/20 | 0.30 |
| ▸ | NOS2 | P35228 | 2/20 | 0.30 |
| ▸ | HTR1A | P08908 | 2/20 | 0.30 |
| ▸ | NOS1 | P29475 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL29960613 | 0.98 | TAAR1 (0.41) | TAAR1KEAP1 | |
| SCHEMBL29960433 | 0.90 | TAAR1 (0.41) | TAAR1KEAP1 | |
| Hydrochloric Acid SCHEMBL29960379 | 0.89 | TAAR1 (0.40) | TAAR1KEAP1 | |
| Hydrochloric Acid SCHEMBL29959968 | 0.78 | TAAR1 (0.44) | TAAR1HTR1A | |
| Hydrochloric Acid SCHEMBL29960779 | 0.78 | TAAR1 (0.44) | TAAR1HTR1A | |
| Hydrochloric Acid SCHEMBL29960640 | 0.78 | TAAR1 (0.42) | TAAR1NOS3NOS2HTR1ANOS1 | |
| SCHEMBL29960294 | 0.76 | — | — | |
| SCHEMBL20017867 | 0.75 | — | — | |
| SCHEMBL29960619 | 0.72 | KEAP1 (0.42) | TAAR1KEAP1 | |
| SCHEMBL10025872 | 0.72 | — | — |
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-2022204150-A1 | COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS | BLUE OAK PHARMACEUTICALS, INC. (US) | 2022-09-29 | — | — | WO | disclosed |