Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.43 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.43 |
| ▸ | CTSK | P43235 | 11/20 | 0.43 |
| ▸ | CTSS | P25774 | 3/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | JAK3 | P52333 | 1/20 | 0.41 |
| ▸ | BTK | Q06187 | 1/20 | 0.41 |
| ▸ | ITGB3 | P05106 | 2/20 | 0.39 |
| ▸ | ITGA2B | P08514 | 2/20 | 0.39 |
| ▸ | TGM2 | P21980 | 1/20 | 0.39 |
| ▸ | PPARG | P37231 | 1/20 | 0.37 |
| ▸ | PPARA | Q07869 | 1/20 | 0.37 |
| ▸ | CAPN1 | P07384 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL8708312 | 1.00 | ALDH1A1 (0.46) | ALDH1A1TSHRHDAC4HDAC1HDAC6 | |
| SCHEMBL8193834 | 0.88 | CYP1A2 (0.48) | ALDH1A1TSHRHDAC4HDAC1HDAC6 | |
| SCHEMBL7974823 | 0.86 | ALDH1A1 (0.47) | ALDH1A1TSHRHDAC4HDAC1HDAC6 | |
| SCHEMBL23451020 | 0.83 | ALDH1A1 (0.50) | ALDH1A1TSHRHDAC4HDAC1HDAC6 | |
| SCHEMBL13233385 | 0.83 | CTSK (0.50) | ALDH1A1TSHRHDAC4HDAC1HDAC6 | |
| SCHEMBL23157236 | 0.83 | ALDH1A1 (0.50) | ALDH1A1TSHRHDAC4HDAC1HDAC6 | |
| SCHEMBL13233387 | 0.83 | CTSK (0.50) | ALDH1A1TSHRHDAC4HDAC1HDAC6 | |
| SCHEMBL14150791 | 0.82 | CTSK (0.56) | ALDH1A1TSHRHDAC4HDAC1HDAC6 | |
| SCHEMBL6745774 | 0.82 | CTSK (0.56) | ALDH1A1TSHRHDAC4HDAC1HDAC6 | |
| SCHEMBL1048310 | 0.82 | MEN1 (0.47) | ALDH1A1TSHRHDAC4HDAC1HDAC6 |
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-2001005748-A1 | OLIGOMERIC AMINO ACID DERIVATIVES USEFUL AS NITRIC OXIDE SYNTHASE INHIBITORS | MONSANTO COMPANY (US) | 2001-01-25 | — | — | WO | disclosed |