Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 6/20 | 0.62 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | ALDH1A3 | P47895 | 3/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.35 |
| ▸ | ALDH3A1 | P30838 | 1/20 | 0.33 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.33 |
| ▸ | APP | P05067 | 1/20 | 0.33 |
| ▸ | SNCA | P37840 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL29954047 | 0.77 | CYP2A6 (1.00) | CYP2A6ALDH1A1TSHRKDM4EPTGS2 | |
| SCHEMBL1125855 | 0.77 | CYP2A6 (1.00) | CYP2A6ALDH1A1TSHRKDM4EPTGS2 | |
| SCHEMBL1126156 | 0.73 | CYP2A6 (0.62) | CYP2A6ALDH1A1PTGER4APPSNCA | |
| SCHEMBL29952158 | 0.73 | CYP2A6 (0.62) | CYP2A6ALDH1A1PTGER4APPSNCA | |
| SCHEMBL4718808 | 0.73 | CYP2A6 (0.57) | CYP2A6ALDH1A1TSHRKDM4EPTGS2 | |
| SCHEMBL757446 | 0.73 | CYP2A6 (0.62) | CYP2A6ALDH1A1TSHRKDM4EPTGS2 | |
| SCHEMBL18002642 | 0.73 | BIRC5 (0.54) | CYP2A6ALDH1A1KDM4EALDH1A3HSD17B10 | |
| SCHEMBL3222973 | 0.72 | APP (0.64) | CYP2A6APPSNCABACE1 | |
| SCHEMBL3204278 | 0.72 | CYP2A6 (0.60) | CYP2A6ALDH1A1TSHRTDP1BACE1 | |
| SCHEMBL18127340 | 0.72 | CYP2A6 (0.56) | CYP2A6ALDH1A1KDM4EPTGS2RAB9A |
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 |
|---|---|---|---|---|---|---|---|
| CN-110003169-A | GPR40 receptor agonist, method for preparing same, and pharmaceutical composition containing same as active ingredient | 株式会社LG化学 | 2019-07-12 | — | — | CN | disclosed |
| CN-104837816-A | GPR40 receptor agonist, method for preparing same, and pharmaceutical composition containing same as active ingredient | LG LIFE SCIENCES LTD | 2015-08-12 | — | — | CN | disclosed |