Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.47 |
| ▸ | GPR35 | Q9HC97 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.41 |
| ▸ | CRHR1 | P34998 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL761929 | 0.80 | SMN1; SMN2 (0.57) | SMN1; SMN2TSHRCYP3A4GPR35MAPT | |
| SCHEMBL12161594 | 0.78 | SMN1; SMN2 (0.56) | SMN1; SMN2TSHRCYP3A4GPR35MAPT | |
| SCHEMBL7039360 | 0.77 | ERN1 (0.39) | SMN1; SMN2CYP3A4GPR35MAPTLMNA | |
| SCHEMBL131620 | 0.77 | GPR35 (0.57) | SMN1; SMN2TSHRCYP3A4GPR35MAPT | |
| SCHEMBL31215172 | 0.77 | GPR35 (0.57) | SMN1; SMN2TSHRCYP3A4GPR35MAPT | |
| SCHEMBL126405 | 0.77 | SMN1; SMN2 (0.54) | SMN1; SMN2TSHRCYP3A4GPR35MAPT | |
| SCHEMBL8559949 | 0.77 | SMN1; SMN2 (0.54) | SMN1; SMN2TSHRCYP3A4GPR35MAPT | |
| SCHEMBL541340 | 0.77 | SMN1; SMN2 (0.54) | SMN1; SMN2TSHRCYP3A4GPR35MAPT | |
| SCHEMBL307869 | 0.77 | SMN1; SMN2 (0.54) | SMN1; SMN2TSHRCYP3A4GPR35MAPT | |
| SCHEMBL30890603 | 0.77 | SMN1; SMN2 (0.54) | SMN1; SMN2TSHRCYP3A4GPR35MAPT |
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-2300485-A1 | PYRROLO Ý2, 3-C¨PYRIDINE DERIVATIVES AS P38 KINASE INHIBITING AGENTS | Merck Sharp & Dohme Corp. (US) | 2011-03-30 | — | — | EP | disclosed |
| WO-2009152072-A1 | PYRROLO [2, 3-C] PYRIDINE DERIVATIVES AS P38 KINASE INHIBITING AGENTS | MERCK & CO., INC. (US) | 2009-12-17 | — | — | WO | disclosed |