Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.40 |
| ▸ | PDE7A | Q13946 | 4/20 | 0.38 |
| ▸ | FLT3 | P36888 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | GFER | P55789 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | ESR1 | P03372 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | CDK9 | P50750 | 1/20 | 0.35 |
| ▸ | DYRK1A | Q13627 | 1/20 | 0.35 |
| ▸ | DYRK2 | Q92630 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31052495 | 0.98 | HPGD (0.43) | HPGDALDH1A1KDM4EHSD17B10SIGMAR1 | |
| SCHEMBL3364096 | 0.81 | ALDH1A1 (0.49) | HPGDALDH1A1KDM4EHSD17B10SIGMAR1 | |
| SCHEMBL31462462 | 0.81 | ALDH1A1 (0.49) | HPGDALDH1A1KDM4EHSD17B10SIGMAR1 | |
| SCHEMBL31018653 | 0.80 | TEAD1 (0.37) | ALOX15 | |
| SCHEMBL23748795 | 0.79 | KDM4E (0.46) | HPGDALDH1A1KDM4EHSD17B10SIGMAR1 | |
| SCHEMBL19300056 | 0.78 | ALDH1A1 (0.43) | HPGDALDH1A1KDM4EHSD17B10SIGMAR1 | |
| SCHEMBL17356152 | 0.76 | ALDH1A1 (0.42) | HPGDALDH1A1KDM4EHSD17B10SIGMAR1 | |
| SCHEMBL21191294 | 0.76 | ALDH1A1 (0.42) | HPGDALDH1A1KDM4EHSD17B10SIGMAR1 | |
| SCHEMBL18164031 | 0.76 | SIGMAR1 (0.41) | HPGDALDH1A1KDM4EHSD17B10SIGMAR1 | |
| SCHEMBL31018548 | 0.75 | MAP3K12 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2287161-B1 | Derivatives of 4-piperazin-1-yl-4-benzo[b]thiophene suitable for the treatment of CNS disorders | OTSUKA PHARMA CO LTD (JP) | 2012-05-09 | — | — | EP | disclosed |