Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | UNG | P13051 | 1/20 | 0.38 |
| ▸ | PRKCQ | Q04759 | 1/20 | 0.37 |
| ▸ | MAOA | P21397 | 5/20 | 0.36 |
| ▸ | MAOB | P27338 | 5/20 | 0.36 |
| ▸ | CA12 | O43570 | 1/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | SRC | P12931 | 1/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.33 |
| ▸ | TRIM24 | O15164 | 1/20 | 0.33 |
| ▸ | TRIM33 | Q9UPN9 | 1/20 | 0.33 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL27489105 | 0.82 | TAAR1 (0.52) | TAAR1ALDH1A1PRKCQTDP1NFE2L2 | |
| SCHEMBL11516492 | 0.82 | ALDH1A1 (0.41) | ALDH1A1UNGMAOAMAOBNPC1 | |
| SCHEMBL2593641 | 0.80 | TAAR1 (0.70) | TAAR1PRKCQ | |
| SCHEMBL5778960 | 0.79 | ALDH1A1 (0.45) | ALDH1A1UNGMAOAMAOBCA12 | |
| SCHEMBL3648048 | 0.79 | TDP1 (0.40) | ALDH1A1UNGMAOAMAOBNPC1 | |
| SCHEMBL6848985 | 0.79 | ALDH1A1 (0.48) | ALDH1A1UNGMAOAMAOBCA12 | |
| SCHEMBL309484 | 0.79 | ALDH1A1 (0.48) | ALDH1A1UNGMAOAMAOBNPC1 | |
| SCHEMBL29846591 | 0.79 | ALDH1A1 (0.48) | ALDH1A1UNGMAOAMAOBNPC1 | |
| SCHEMBL8085024 | 0.76 | CNR2 (0.49) | — | |
| SCHEMBL6854509 | 0.76 | ESR1 (0.52) | ALDH1A1UNGMAOAMAOBCYP2A6 |
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-2008137102-A2 | METHODS OF MODULATING AMYLOID BETA AND COMPOUNDS USEFUL THEREFOR | TORREYPINES THERAPEUTICS, INC. (US) | 2008-11-13 | — | — | WO | disclosed |