Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.59 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.53 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 2/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL13832342 | 0.82 | TSHR (0.62) | NPSR1ALDH1A1POLBTSHR | |
| SCHEMBL5418863 | 0.82 | ALDH1A1 (0.69) | TDP1NPSR1ALDH1A1HPGDTP53 | |
| SCHEMBL5422195 | 0.80 | GAA (0.62) | ALDH1A1HPGDGAATSHR | |
| SCHEMBL5329766 | 0.79 | GAA (0.64) | ALDH1A1HPGDGAATSHR | |
| SCHEMBL5416217 | 0.78 | ALDH1A1 (0.60) | TDP1NPSR1ALDH1A1HPGDPOLB | |
| SCHEMBL5338355 | 0.78 | TSHR (0.59) | ALDH1A1HPGDGAATSHR | |
| SCHEMBL5336800 | 0.78 | KMT2A (0.80) | ALDH1A1HPGDGAATSHR | |
| SCHEMBL30864912 | 0.77 | GAA (0.68) | TDP1NPSR1ALDH1A1HPGDPOLB | |
| SCHEMBL30864914 | 0.77 | GAA (0.68) | TDP1NPSR1ALDH1A1HPGDPOLB | |
| SCHEMBL5330985 | 0.76 | TSHR (0.56) | TDP1ALDH1A1HPGDGAATSHR |
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-2007047394-A2 | THIOTRIAZOLYL DERIVATIVES | EPIX DELAWARE, INC. (US) | 2007-04-26 | — | — | WO | disclosed |