Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.53 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.50 |
| ▸ | MEN1 | O00255 | 3/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | NPC1 | O15118 | 3/20 | 0.44 |
| ▸ | RAB9A | P51151 | 3/20 | 0.44 |
| ▸ | NPBWR1 | P48145 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | GSR | P00390 | 1/20 | 0.43 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8559047 | 0.90 | RIPK1 (0.62) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL8554228 | 0.80 | XDH (0.46) | ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9 | |
| SCHEMBL7209149 | 0.79 | ALDH1A1 (0.59) | ALDH1A1MAPK1MAPTNPC1RAB9A | |
| SCHEMBL10466630 | 0.78 | ALDH1A1 (0.51) | ALDH1A1CYP1A2CYP3A4MEN1KMT2A | |
| SCHEMBL16134487 | 0.78 | L3MBTL1 (0.54) | ALDH1A1CYP1A2CYP3A4RIPK1MEN1 | |
| SCHEMBL4006935 | 0.78 | ALDH1A1 (0.51) | ALDH1A1CYP3A4MEN1KMT2AMAPT | |
| SCHEMBL6763997 | 0.77 | RIPK1 (0.81) | ALDH1A1RIPK1MEN1KMT2AMAPT | |
| Hydrochloric Acid SCHEMBL6534097 | 0.77 | ALDH1A1 (0.50) | ALDH1A1CYP3A4MEN1KMT2AMAPT | |
| SCHEMBL10465038 | 0.75 | ALDH1A1 (0.46) | ALDH1A1RIPK1MEN1KMT2AMAPT | |
| SCHEMBL5504989 | 0.74 | MAPT (0.73) | ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19 |
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-0843671-A1 | HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | GLAXO GROUP LIMITED (GB) | 1998-05-27 | — | — | EP | disclosed |
| WO-1997003069-A1 | HETEROCYCLIC COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | GLAXO GROUP LIMITED (GB) | 1997-01-30 | — | — | WO | disclosed |