Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.48 |
| ▸ | MAP2 | P11137 | 3/20 | 0.37 |
| ▸ | PADI4 | Q9UM07 | 2/20 | 0.35 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.35 |
| ▸ | FASN | P49327 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.34 |
| ▸ | DYRK1A | Q13627 | 2/20 | 0.34 |
| ▸ | PRCP | P42785 | 1/20 | 0.34 |
| ▸ | TYMP | P19971 | 1/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.34 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL11260318 | 0.88 | MAP2 (0.37) | GPR35MAP2HPGDKDM4EALDH1A1 | |
| SCHEMBL11297197 | 0.88 | MAP2 (0.48) | GPR35MAP2HPGDKDM4EALDH1A1 | |
| SCHEMBL11252557 | 0.83 | GPR35 (0.47) | GPR35MAP2PADI4FASNHPGD | |
| SCHEMBL11558034 | 0.83 | MAP2 (0.46) | GPR35MAP2HPGDKDM4EALDH1A1 | |
| SCHEMBL11342336 | 0.83 | GPR35 (0.69) | GPR35MAP2PADI4HPGDKDM4E | |
| SCHEMBL11255700 | 0.83 | MCL1 (0.33) | MAP2CYP1A2 | |
| SCHEMBL11252281 | 0.82 | MAP2 (0.31) | MAP2 | |
| SCHEMBL11248598 | 0.82 | MCL1 (0.35) | GPR35MAP2KMT2APTGS1PTGS2 | |
| SCHEMBL11304764 | 0.82 | MAP2 (0.42) | GPR35MAP2PTGS2 | |
| SCHEMBL11349249 | 0.81 | JAK2 (0.32) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4342769-A | 2-[(Methylsulfinyl)acetyl]-3-heterocyclicindoles and derivatives thereof as immunosuppressants | SCHERING CORPORATION (US) | 1982-08-03 | — | — | US | disclosed |
| US-4328345-A | Pyridyl substituted indoles | SCHERING CORPORATION (US) | 1982-05-04 | — | — | US | disclosed |
| EP-0010617-B1 | NOVEL 2-SUBSTITUTED-3-HETEROCYCLYLINDOLES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | SCHERING CORPORATION (US) | 1981-08-05 | — | — | EP | disclosed |
| US-4225711-A | Substituted 2-[(methylsulfinyl)acetyl]-3-heterocyclicindoles and their use as immunosuppressants | SCHERING CORPORATION (US) | 1980-09-30 | — | — | US | disclosed |
| EP-0010617-A1 | Novel 2-substituted-3-heterocyclylindoles, their preparation and pharmaceutical compositions containing them | SCHERING CORPORATION (US) | 1980-05-14 | — | — | EP | disclosed |