Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGS1 | P23219 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 5/20 | 0.36 |
| ▸ | PDE5A | O76074 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.34 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.34 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.34 |
| ▸ | SELE | P16581 | 1/20 | 0.34 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.34 |
| ▸ | GCK | P35557 | 1/20 | 0.33 |
| ▸ | JAK2 | O60674 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | NPC1 | O15118 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL3835657 | 0.86 | ALDH1A1 (0.43) | PTGS1PTGS2PARP1PDE5AALDH1A1 | |
| SCHEMBL4035502 | 0.86 | TUBB4A (0.39) | PARP1PDE5AALDH1A1DHODHPARP2 | |
| SCHEMBL4214923 | 0.83 | ALDH1A1 (0.37) | PARP1PDE5AALDH1A1PKMDHODH | |
| SCHEMBL4033192 | 0.83 | PKN1 (0.38) | PARP1PDE5APARP2JAK2KCNMA1 | |
| SCHEMBL4041978 | 0.82 | CNR2 (0.35) | PARP1PDE5AALDH1A1JAK2LMNA | |
| SCHEMBL4036107 | 0.82 | PDE5A (0.36) | PARP1PDE5AALDH1A1ICAM1SELE | |
| SCHEMBL4034813 | 0.82 | PKM (0.43) | PARP1PDE5AALDH1A1PKMLMNA | |
| SCHEMBL2049930 | 0.81 | PARP1 (0.39) | PTGS1PTGS2PARP1ALDH1A1PKM | |
| SCHEMBL4032967 | 0.81 | SMN1; SMN2 (0.41) | PDE5AALDH1A1PKMLMNAHPGD | |
| SCHEMBL4039379 | 0.81 | CHUK (0.42) | PTGS1PTGS2PARP1ALDH1A1PKM |
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 |
|---|---|---|---|---|---|---|---|
| EP-1747220-B1 | SUBSTITUTED 1H-PYRROLO[3,2-B, 3,2-C, AND 2,3-C]PYRIDINE-2-CARBOXAMIDES AND RELATED ANALOGS AS INHIBITORS OF CASEIN KINASE I EPSILON | AVENTIS PHARMA INC (US) | 2009-04-15 | — | — | EP | claimed |