Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.61 |
| ▸ | GAA | P10253 | 1/20 | 0.61 |
| ▸ | MAPT | P10636 | 1/20 | 0.61 |
| ▸ | THRB | P10828 | 1/20 | 0.61 |
| ▸ | MGLL | Q99685 | 4/20 | 0.35 |
| ▸ | FAAH | O00519 | 3/20 | 0.35 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.33 |
| ▸ | GBA1 | P04062 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | G6PD | P11413 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.32 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3269226 | 0.80 | ALDH1A1 (0.65) | ALDH1A1GAAMAPTTHRBMGLL | |
| SCHEMBL2365151 | 0.76 | ALDH1A1 (1.00) | ALDH1A1GAAMAPTTHRBMGLL | |
| SCHEMBL9153141 | 0.75 | GAA (0.96) | ALDH1A1GAAMAPTTHRBMGLL | |
| SCHEMBL17817456 | 0.73 | ALDH1A1 (0.65) | ALDH1A1GAAMAPTTHRBMGLL | |
| SCHEMBL17247577 | 0.71 | GAA (0.57) | ALDH1A1GAAMAPTTHRBMGLL | |
| SCHEMBL10883416 | 0.71 | MAPT (0.61) | ALDH1A1GAAMAPTTHRBMGLL | |
| SCHEMBL4664754 | 0.70 | GAA (0.89) | ALDH1A1GAAMAPTTHRBPTGS1 | |
| SCHEMBL17247571 | 0.70 | GAA (0.61) | ALDH1A1GAAMAPTTHRBMGLL | |
| SCHEMBL10339520 | 0.70 | ALDH1A1 (0.59) | ALDH1A1GAAMAPTTHRBMGLL | |
| SCHEMBL3260133 | 0.69 | ALDH1A1 (0.58) | ALDH1A1GAAMAPTTHRBMGLL |
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 |
|---|---|---|---|---|---|---|---|
| US-4260776-A | PYRAZOLONE | BAYER AKTIENGESELLSCHAFT (DE) | 1981-04-07 | — | — | US | disclosed |