Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.38 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | PIEZO1 | Q92508 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.33 |
| ▸ | GRIA1 | P42261 | 1/20 | 0.33 |
| ▸ | CACNG8 | Q8WXS5 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | EGFR | P00533 | 1/20 | 0.32 |
| ▸ | SRC | P12931 | 1/20 | 0.32 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.31 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.31 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL5764019 | 1.00 | TAAR1 (0.38) | TAAR1CSNK2A1AKR1B1ALDH1A1PIEZO1 | |
| SCHEMBL779716 | 0.85 | TAAR1 (0.44) | TAAR1AKR1B1SMN1; SMN2CNR1GRIA1 | |
| SCHEMBL8130103 | 0.85 | KDM4E (0.38) | CSNK2A1ALDH1A1KDM4ETDP1EGFR | |
| SCHEMBL1294116 | 0.78 | GRIA1 (0.43) | TAAR1AKR1B1ALDH1A1SMN1; SMN2CNR1 | |
| SCHEMBL958644 | 0.76 | TAAR1 (0.55) | TAAR1ALDH1A1SMN1; SMN2KDM4ETDP1 | |
| SCHEMBL31454540 | 0.76 | DYRK1A (0.33) | CSNK2A1KDM4ETDP1EGFRSRC | |
| SCHEMBL31459423 | 0.76 | TAAR1 (0.38) | TAAR1AKR1B1ALDH1A1SMN1; SMN2KDM4E | |
| SCHEMBL12490313 | 0.76 | DYRK1A (0.41) | CSNK2A1ALDH1A1CNR1KDM4ETDP1 | |
| SCHEMBL534442 | 0.76 | EED (0.37) | TAAR1ALDH1A1SMN1; SMN2KDM4ETDP1 | |
| SCHEMBL11114860 | 0.76 | TAAR1 (0.38) | TAAR1AKR1B1ALDH1A1SMN1; SMN2KDM4E |
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 |