Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.44 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | HK1 | P19367 | 1/20 | 0.41 |
| ▸ | HKDC1 | Q2TB90 | 1/20 | 0.41 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL9217722 | 0.82 | HSD11B1 (0.49) | TSHRALDH1A1KMT2AL3MBTL1 | |
| SCHEMBL9525466 | 0.81 | SMN1; SMN2 (0.42) | TSHRALDH1A1GAALMNAPOLB | |
| SCHEMBL12704750 | 0.77 | ALDH1A1 (0.50) | TSHRALDH1A1CYP2A6CYP2A13GAA | |
| SCHEMBL2819453 | 0.76 | CYP2A6 (0.51) | ALDH1A1CYP2A6CYP2A13GAAHIF1A | |
| SCHEMBL1544974 | 0.74 | ALDH1A1 (0.50) | TSHRALDH1A1CYP2A6CYP2A13GAA | |
| Hydrochloric Acid SCHEMBL4705447 | 0.73 | ALDH1A1 (0.49) | TSHRALDH1A1CYP2A6CYP2A13GAA | |
| SCHEMBL1545223 | 0.72 | TSHR (0.59) | TSHRALDH1A1GAALMNARAB9A | |
| SCHEMBL1545248 | 0.72 | HK1 (0.46) | TSHRALDH1A1CYP2A6CYP2A13GAA | |
| SCHEMBL9226695 | 0.72 | HSD11B1 (0.51) | TSHRALDH1A1MAPTCYP1A2CYP3A4 | |
| SCHEMBL2893222 | 0.71 | TSHR (0.48) | TSHRALDH1A1CYP2A6GAALMNA |
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-2007040982-A1 | 5- (PHENYLISOXAZOLYLETHOXY) -TRIAZOL- 3 -YL SUBSTITUTED PYRIDINE COMPOUNDS FOR THE TREATMENT OF NEUROLOGICAL, PSYCHIATRIC OR PAIN DISORDERS | ASTRAZENECA AB (SE) | 2007-04-12 | — | — | WO | disclosed |