Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | APP | P05067 | 1/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | LTA4H | P09960 | 1/20 | 0.40 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.40 |
| ▸ | TXNRD1 | Q16881 | 1/20 | 0.39 |
| ▸ | TXNRD3 | Q86VQ6 | 1/20 | 0.39 |
| ▸ | TXNRD2 | Q9NNW7 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.38 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.38 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.38 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.38 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL619064 | 0.81 | NPC1 (0.43) | APPMAPK14TXNRD1TXNRD3TXNRD2 | |
| SCHEMBL292275 | 0.77 | APP (0.72) | APPALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL7744824 | 0.76 | PARP1 (0.62) | LMNAMAPT | |
| Hydrochloric Acid SCHEMBL584918 | 0.76 | APP (0.70) | APPALDH1A1CYP1A2CYP2C9CYP2C19 | |
| SCHEMBL9454133 | 0.76 | ALDH1A1 (0.56) | ALDH1A1TXNRD1TXNRD3TXNRD2LMNA | |
| SCHEMBL28311216 | 0.76 | NPC1 (0.44) | ALDH1A1ADRA2BMAPK1L3MBTL1HTR1A | |
| SCHEMBL8811096 | 0.73 | NPC1 (0.57) | ALDH1A1CYP1A2CYP2C19LMNARECQL | |
| SCHEMBL6421205 | 0.73 | APP (0.71) | APPALDH1A1LTA4HMAPK14LMNA | |
| Aniline SCHEMBL22169167 | 0.73 | APP (0.66) | APPALDH1A1CYP1A2CYP2C9CYP2C19 | |
| Hydrochloric Acid SCHEMBL28749874 | 0.72 | GAA (0.47) | ALDH1A1LMNATDP1MAPTL3MBTL1 |
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-0782570-A1 | SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE | THE WELLCOME FOUNDATION LIMITED (GB) | 1997-07-09 | — | — | EP | disclosed |
| WO-1996009294-A1 | SUBSTITUTED HETEROAROMATIC COMPOUNDS AND THEIR USE IN MEDICINE | THE WELLCOME FOUNDATION LIMITED (GB) | 1996-03-28 | — | — | WO | disclosed |