Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.40 |
| ▸ | GPBAR1 | Q8TDU6 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | XPO1 | O14980 | 2/20 | 0.37 |
| ▸ | ATF1 | P18846 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL16401498 | 0.85 | NPSR1 (0.50) | GPR35ALDH1A1CES2NPSR1HPGD | |
| SCHEMBL6152817 | 0.83 | CES2 (0.47) | GPR35CES2NPSR1NOTUMGPBAR1 | |
| SCHEMBL29001242 | 0.80 | TPMT (0.39) | ALDH1A1KDM4ELMNAL3MBTL1GAA | |
| SCHEMBL15999777 | 0.78 | NOTUM (0.42) | GPR35CES2NPSR1NOTUMGPBAR1 | |
| SCHEMBL15229000 | 0.78 | CES2 (0.52) | CES2NOTUMGPBAR1GAA | |
| SCHEMBL6554921 | 0.77 | GPR35 (0.50) | GPR35ALDH1A1CES2NPSR1HPGD | |
| SCHEMBL6554925 | 0.77 | GPR35 (0.50) | GPR35ALDH1A1CES2NPSR1HPGD | |
| SCHEMBL1996172 | 0.76 | CA12 (0.56) | GPR35ALDH1A1CES2NOTUMLMNA | |
| SCHEMBL2895507 | 0.76 | CES2 (0.53) | GPR35CES2NOTUMLMNAGAA | |
| SCHEMBL31153681 | 0.75 | GPR35 (0.39) | GPR35ALDH1A1GPBAR1NFKB1GAA |
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-8124633-B2 | Hydroxymethyl ether hydroisoindoline tachykinin receptor antagonists | MERCK SHARP & DOHME CORP. (US) | 2012-02-28 | — | — | US | disclosed |