Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 9/20 | 0.39 |
| ▸ | GRM5 | P41594 | 2/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | PBRM1 | Q86U86 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.32 |
| ▸ | CLCN2 | P51788 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | KCNMA1 | Q12791 | 1/20 | 0.32 |
| ▸ | MAOA | P21397 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL15567238 | 0.81 | KDM4E (0.43) | GRM5KDM4EGAAHPGDHSD17B10 | |
| SCHEMBL24204705 | 0.74 | MCL1 (0.32) | CYP1A2ADRA2A | |
| SCHEMBL3525876 | 0.73 | ADRA2A (0.40) | GPR35GRM5KDM4ECYP1A2ADRA2A | |
| SCHEMBL31579783 | 0.70 | ALDH1A1 (0.47) | KDM4EGRIN1GRIN2AGRIN2BGRIN2C | |
| SCHEMBL31746161 | 0.69 | TDP1 (0.38) | GPR35KDM4ECYP1A2ADRA2AGAA | |
| SCHEMBL2482363 | 0.69 | GRM5 (0.66) | GRM5PBRM1 | |
| SCHEMBL1005732 | 0.68 | GRM5 (0.64) | GRM5PBRM1 | |
| SCHEMBL465947 | 0.67 | PBRM1 (0.54) | GPR35GRM5KDM4EPBRM1GFER | |
| SCHEMBL2172177 | 0.63 | ALDH1A1 (0.43) | KDM4EGRIN1GRIN2AGRIN2BGRIN2C | |
| SCHEMBL17699667 | 0.63 | ADRA2A (0.43) | GPR35KDM4ECYP1A2ADRA2ACLCN2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2014026327-A1 | 4-HETEROARYL SUBSTITUTED BENZOIC ACID COMPOUNDS AS RORGAMMAT INHIBITORS AND USES THEREOF | MERCK SHARP & DOHME CORP. (US) | 2014-02-20 | — | — | WO | disclosed |