Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.45 |
| ▸ | KCNT1 | Q5JUK3 | 1/20 | 0.44 |
| ▸ | FKBP1A | P62942 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | DRD4 | P21917 | 2/20 | 0.39 |
| ▸ | DRD3 | P35462 | 2/20 | 0.39 |
| ▸ | DRD2 | P14416 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | CA7 | P43166 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.38 |
| ▸ | USP30 | Q70CQ3 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28216314 | 0.88 | UCHL1 (0.44) | SMN1; SMN2DRD4DRD3DRD2UCHL1 | |
| SCHEMBL257524 | 0.79 | CA1 (0.53) | FKBP1AALDH1A1SMN1; SMN2MAPTCA1 | |
| SCHEMBL28211323 | 0.78 | FKBP1A (0.61) | TSHRKCNT1FKBP1AALDH1A1POLB | |
| SCHEMBL4319262 | 0.75 | ALDH1A1 (0.55) | TSHRFKBP1AALDH1A1SMN1; SMN2POLB | |
| SCHEMBL28144414 | 0.71 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2POLBKMT2ANPC1 | |
| SCHEMBL27748503 | 0.69 | LTA4H (0.35) | — | |
| SCHEMBL6686999 | 0.69 | ALDH1A1 (0.46) | TSHRKCNT1FKBP1AALDH1A1POLB | |
| SCHEMBL27748375 | 0.68 | HTR2A (0.33) | — | |
| SCHEMBL28849615 | 0.68 | CA12 (0.48) | ALDH1A1MAPTCA1CA2CA7 | |
| SCHEMBL14537722 | 0.67 | ALDH1A1 (0.67) | TSHRKCNT1ALDH1A1SMN1; SMN2TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-107922362-A | 1,3, 4-oxadiazole sulfonamide derivative compounds as histone deacetylase 6 inhibitors and pharmaceutical compositions containing the same | 株式会社钟根堂 | 2018-04-17 | — | — | CN | disclosed |