Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | POLQ | O75417 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | GLA | P06280 | 2/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL5143989 | 0.83 | ALDH1A1 (0.41) | ALDH1A1NPSR1KMT2ANPC1HTT | |
| SCHEMBL5143986 | 0.83 | ALDH1A1 (0.41) | ALDH1A1NPSR1KMT2ANPC1HTT | |
| SCHEMBL5068716 | 0.81 | ALDH1A1 (0.44) | ALDH1A1NPSR1KMT2ANPC1HTT | |
| Hydrochloric Acid SCHEMBL6557848 | 0.80 | ALDH1A1 (0.43) | ALDH1A1NPSR1KMT2ANPC1HTT | |
| SCHEMBL7458741 | 0.79 | POLQ (0.41) | ALDH1A1NPSR1KMT2ANPC1HTT | |
| SCHEMBL11370851 | 0.79 | NPSR1 (0.41) | ALDH1A1NPSR1KMT2ANPC1HTT | |
| SCHEMBL1008397 | 0.78 | NPSR1 (0.44) | ALDH1A1NPSR1KMT2ANPC1HTT | |
| SCHEMBL3938034 | 0.76 | NPSR1 (0.43) | ALDH1A1NPSR1KMT2ANPC1HTT | |
| SCHEMBL3399057 | 0.76 | LTB4R2 (0.47) | NPC1RAB9ACES1TP53PAX8 | |
| SCHEMBL6528620 | 0.75 | NPC1 (0.46) | NPC1RAB9ACES1TP53PAX8 |
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-2008100621-A2 | TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S | SUNESIS PHARMACEUTICALS, INC. (US) | 2008-08-21 | — | — | WO | claimed |