Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.36 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.35 |
| ▸ | AHR | P35869 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 2/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 2/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.34 |
| ▸ | NQO2 | P16083 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | KAT2B | Q92831 | 1/20 | 0.34 |
| ▸ | HSPB1 | P04792 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL31073706 | 0.90 | ALDH1A1 (0.45) | ALDH1A1IDO1CYP3A4GLAMAPT | |
| SCHEMBL116805 | 0.90 | ALDH1A1 (0.43) | ALDH1A1IDO1CYP3A4GLASIRT2 | |
| SCHEMBL7408717 | 0.90 | ALDH1A1 (0.45) | ALDH1A1IDO1CYP3A4GLAMAPT | |
| SCHEMBL6584069 | 0.81 | SIRT2 (0.38) | ALDH1A1CYP3A4GLASIRT2AHR | |
| SCHEMBL14658898 | 0.76 | ALDH1A1 (0.43) | ALDH1A1IDO1AHRMAPTMEN1 | |
| SCHEMBL30083596 | 0.76 | ALDH1A1 (0.43) | ALDH1A1IDO1AHRMAPTMEN1 | |
| SCHEMBL3491271 | 0.73 | ALDH1A1 (0.37) | ALDH1A1MAPTKMT2ALMNAHTT | |
| SCHEMBL909437 | 0.72 | ALDH1A1 (0.60) | ALDH1A1IDO1CYP3A4AHRMAPT | |
| SCHEMBL29883237 | 0.72 | ALDH1A1 (0.60) | ALDH1A1IDO1CYP3A4AHRMAPT | |
| SCHEMBL364459 | 0.72 | ALDH1A1 (0.54) | ALDH1A1IDO1AHRMAPTMEN1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0950057-A1 | 3-PYRIDYL ENANTIOMERS AND THEIR USE AS ANALGESICS | Abbott Laboratories (US) | 1999-10-20 | — | — | EP | disclosed |
| WO-1998025920-A1 | 3-PYRIDYL ENANTIOMERS AND THEIR USE AS ANALGESICS | ABBOTT LABORATORIES (US) | 1998-06-18 | — | — | WO | disclosed |