Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD4 | P21917 | 1/20 | 0.43 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.42 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.42 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.42 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.41 |
| ▸ | GPBAR1 | Q8TDU6 | 5/20 | 0.40 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | POLQ | O75417 | 1/20 | 0.39 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9819089 | 0.83 | KCNH2 (0.40) | KMT2AMEN1ALDH1A1L3MBTL1KCNH2 | |
| SCHEMBL15650622 | 0.83 | PPIB (0.43) | CHRNB2CHRNB4CHRNA3CHRNA4KMT2A | |
| SCHEMBL3266445 | 0.83 | POLQ (0.45) | KMT2AMEN1ALDH1A1RAB9AMAPT | |
| SCHEMBL11209904 | 0.82 | KMT2A (0.52) | KMT2AMEN1ALDH1A1RAB9APOLQ | |
| SCHEMBL2087687 | 0.82 | ALDH1A1 (0.44) | ALDH1A1GPBAR1HTTMAPTHSD17B10 | |
| SCHEMBL14853482 | 0.80 | ALDH1A1 (0.50) | DRD4CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL9819119 | 0.79 | POLQ (0.48) | GPBAR1POLQSMN1; SMN2 | |
| SCHEMBL11343357 | 0.78 | DRD4 (0.47) | DRD4CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL5351542 | 0.78 | ALDH1A1 (0.58) | DRD4CHRNB2CHRNB4CHRNA3CHRNA4 | |
| SCHEMBL7500313 | 0.77 | AOC3 (0.50) | DRD4CHRNB2CHRNB4CHRNA3CHRNA4 |
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-5034410-A | Nitrile and oxo containing amides or thioamides | SYNTEX (U.S.A.) INC. (US) | 1991-07-23 | — | — | US | disclosed |