Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 2/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.34 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.33 |
| ▸ | KIF11 | P52732 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 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 | |
|---|---|---|---|---|
| SCHEMBL9515793 | 0.86 | CHRNB2 (0.39) | CHRNB2CHRNA4CHRNB4CHRNA3KIF11 | |
| SCHEMBL9515802 | 0.79 | ALDH1A1 (0.38) | ALDH1A1MAPTPOLBL3MBTL1KMT2A | |
| SCHEMBL11203639 | 0.71 | ALDH1A1 (0.46) | ALDH1A1MAPTMEN1KMT2AGAA | |
| SCHEMBL9516842 | 0.71 | CHRNB2 (0.39) | CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1 | |
| SCHEMBL1917616 | 0.71 | CYP2D6 (0.36) | ALDH1A1NPC1MAPTKMT2A | |
| SCHEMBL8812467 | 0.70 | ALDH1A1 (0.43) | ALDH1A1MAPTTHRBMEN1KMT2A | |
| SCHEMBL29155813 | 0.70 | ALDH1A1 (0.43) | ALDH1A1NPC1MAPTABL1POLB | |
| SCHEMBL9517849 | 0.70 | L3MBTL1 (0.37) | ALDH1A1NPC1MAPTABL1POLB | |
| SCHEMBL9517862 | 0.70 | DPP4 (0.39) | CHRNB2CHRNA4CHRNB4CHRNA3ALDH1A1 | |
| SCHEMBL3621568 | 0.69 | GAA (0.43) | ALDH1A1MAPTTDP1THRBATM |
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 |
|---|---|---|---|---|---|---|---|
| EP-0538692-A1 | Use of partly known substituted pyrrolidine derivatives as pharmaceuticals, new compounds and process for their preparation | BAYER AG (DE) | 1993-04-28 | — | — | EP | disclosed |