Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CHRNB2 | P17787 | 1/20 | 0.46 |
| ▸ | CHRNA5 | P30532 | 1/20 | 0.46 |
| ▸ | CHRNA7 | P36544 | 1/20 | 0.46 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.42 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | CARM1 | Q86X55 | 1/20 | 0.41 |
| ▸ | PRMT6 | Q96LA8 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.41 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.41 |
| ▸ | PPM1B | O75688 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | CES2 | O00748 | 1/20 | 0.39 |
| ▸ | DRD2 | P14416 | 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 | |
|---|---|---|---|---|
| SCHEMBL21306552 | 0.75 | CHRNB2 (0.50) | CHRNB2CHRNA5CHRNA7CHRNA4TDP1 | |
| SCHEMBL28655049 | 0.75 | TDP1 (0.53) | CHRNB2CHRNA5CHRNA7CHRNA4TDP1 | |
| SCHEMBL532785 | 0.73 | CARM1 (0.61) | CHRNB2CHRNA5CHRNA7CHRNA4TDP1 | |
| SCHEMBL13286850 | 0.73 | PPM1B (0.56) | CHRNB2CHRNA5CHRNA7CHRNA4TDP1 | |
| SCHEMBL8447322 | 0.73 | CARM1 (0.61) | CHRNB2CHRNA5CHRNA7CHRNA4TDP1 | |
| SCHEMBL2777615 | 0.73 | CHRM3 (0.58) | CHRNB2CHRNA5CHRNA7CHRNA4TDP1 | |
| Hydrochloric Acid SCHEMBL16758819 | 0.72 | CHRM3 (0.56) | CHRNB2CHRNA5CHRNA7CHRNA4TDP1 | |
| SCHEMBL21458033 | 0.71 | CHRNB2 (0.51) | CHRNB2CHRNA5CHRNA7CHRNA4TDP1 | |
| SCHEMBL21458055 | 0.71 | CHRNB2 (0.51) | CHRNB2CHRNA5CHRNA7CHRNA4TDP1 | |
| SCHEMBL21458031 | 0.71 | CHRNB2 (0.51) | CHRNB2CHRNA5CHRNA7CHRNA4TDP1 |
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-0873317-B1 | PYRIMIDIN DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2001-04-11 | — | — | EP | disclosed |
| US-5688798-A | PSYCHOTIC ILLNESS SUCH AS SCHIZOPHRENIA | HOFFMANN-LA ROCHE INC. (US) | 1997-11-18 | — | — | US | disclosed |