Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NFE2L2 | Q16236 | 9/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.44 |
| ▸ | TUBB1 | Q9H4B7 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.39 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.39 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.38 |
| ▸ | NQO2 | P16083 | 1/20 | 0.38 |
| ▸ | TRPV3 | Q8NET8 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | FLT3 | P36888 | 1/20 | 0.36 |
| ▸ | S1PR4 | O95977 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL4714568 | 1.00 | NFE2L2 (0.44) | NFE2L2PTGS1TUBB1PTGS2RELA | |
| SCHEMBL4714571 | 0.76 | PTGS1 (0.58) | NFE2L2PTGS1PTGS2RELANPC1 | |
| SCHEMBL4714569 | 0.76 | PTGS1 (0.58) | NFE2L2PTGS1PTGS2RELANPC1 | |
| SCHEMBL4711103 | 0.74 | S1PR4 (0.41) | RELANPC1SMN1; SMN2HPGDLMNA | |
| SCHEMBL4711104 | 0.74 | S1PR4 (0.41) | RELANPC1SMN1; SMN2HPGDLMNA | |
| SCHEMBL4713483 | 0.73 | KDM4E (0.43) | RELAKDM4ES1PR4 | |
| SCHEMBL4713484 | 0.73 | KDM4E (0.43) | RELAKDM4ES1PR4 | |
| SCHEMBL27497603 | 0.72 | PTGS1 (0.48) | NFE2L2PTGS1PTGS2RELANPC1 | |
| SCHEMBL4713849 | 0.72 | GRM5 (0.57) | — | |
| SCHEMBL7261659 | 0.72 | GRM4 (0.40) | TUBB1RELANPC1RAB9ASMN1; SMN2 |
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-0998459-B1 | PYRIDINE DERIVATIVES | NOVARTIS AG (CH) | 2008-04-23 | — | — | EP | claimed |
| EP-0998459-B1 | PYRIDINE DERIVATIVES | NOVARTIS AG (CH) | 2008-04-23 | — | — | EP | disclosed |