Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.48 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.47 |
| ▸ | HDAC4 | P56524 | 2/20 | 0.47 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.47 |
| ▸ | HDAC7 | Q8WUI4 | 2/20 | 0.47 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.47 |
| ▸ | HDAC10 | Q969S8 | 2/20 | 0.47 |
| ▸ | HDAC11 | Q96DB2 | 2/20 | 0.47 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.47 |
| ▸ | HDAC9 | Q9UKV0 | 2/20 | 0.47 |
| ▸ | HDAC5 | Q9UQL6 | 2/20 | 0.47 |
| ▸ | SLC2A1 | P11166 | 1/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL28102843 | 0.86 | MAPT (0.43) | ALDH1A1LMNAKMT2AMAPTGAA | |
| SCHEMBL28032360 | 0.85 | MEN1 (0.48) | ALDH1A1CA12CA1CA2CA9 | |
| SCHEMBL28032793 | 0.83 | ALDH1A1 (0.53) | ALDH1A1SLC2A1CA1CA2HTT | |
| SCHEMBL28032803 | 0.79 | KMT2A (0.49) | ALDH1A1HTTLMNAKMT2AMAPT | |
| SCHEMBL13724641 | 0.77 | HDAC3 (0.50) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL17432769 | 0.76 | HDAC3 (0.53) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL31403213 | 0.76 | ALDH1A1 (0.54) | ALDH1A1SLC2A1CA1CA2HTT | |
| SCHEMBL23295612 | 0.74 | HDAC3 (0.50) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL11366694 | 0.74 | HDAC3 (0.50) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL3129736 | 0.74 | ALDH1A1 (0.55) | ALDH1A1HDAC3HDAC4HDAC1HDAC7 |
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-104945294-A | Compound containing trifluoromethylthio group and preparation method thereof | SHANGHAI INST ORGANIC CHEM | 2015-09-30 | — | — | CN | disclosed |