Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.54 |
| ▸ | GAA | P10253 | 4/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 3/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | OXTR | P30559 | 5/20 | 0.47 |
| ▸ | AVPR1A | P37288 | 5/20 | 0.47 |
| ▸ | WDR5 | P61964 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL5808404 | 0.70 | ALDH1A1 (0.61) | ALDH1A1GAATP53HPGDPOLB | |
| SCHEMBL5804466 | 0.70 | KMT2A (0.46) | ALDH1A1MEN1TSHRKMT2A | |
| SCHEMBL5805616 | 0.69 | TRPM8 (0.50) | TSHROXTR | |
| SCHEMBL5808402 | 0.68 | ALDH1A1 (0.61) | ALDH1A1GAATP53HPGDPOLB | |
| SCHEMBL1030480 | 0.67 | ALDH1A1 (0.54) | ALDH1A1GAATP53HPGDPOLB | |
| SCHEMBL5806073 | 0.66 | NR1H4 (0.44) | ALDH1A1HPGDMEN1MAPK1KMT2A | |
| SCHEMBL5804372 | 0.63 | TP53 (0.55) | ALDH1A1GAATP53MEN1ALOX15 | |
| SCHEMBL5804375 | 0.63 | TP53 (0.55) | ALDH1A1GAATP53MEN1ALOX15 | |
| SCHEMBL29171443 | 0.63 | HPGD (0.60) | ALDH1A1GAAHPGDPOLBMEN1 | |
| SCHEMBL25414340 | 0.63 | OXTR (0.56) | ALDH1A1HPGDPOLBMEN1ALOX15 |
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-2006069096-A1 | SILANOL DERIVATIVES AS INHIBITORS OF HISTONE DEACETYLASE | PHARMACYCLICS, INC. (US) | 2006-06-29 | — | — | WO | disclosed |