Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 2/20 | 0.56 |
| ▸ | BCL9 | O00512 | 1/20 | 0.36 |
| ▸ | CTNNB1 | P35222 | 1/20 | 0.36 |
| ▸ | RBP4 | P02753 | 2/20 | 0.35 |
| ▸ | HTR1D | P28221 | 2/20 | 0.35 |
| ▸ | PDE10A | Q9Y233 | 2/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 1/20 | 0.34 |
| ▸ | HTR1B | P28222 | 1/20 | 0.34 |
| ▸ | PREP | P48147 | 1/20 | 0.34 |
| ▸ | TP53 | P04637 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL4503323 | 1.00 | IKBKB (0.56) | IKBKBBCL9CTNNB1RBP4HTR1D | |
| SCHEMBL4504732 | 1.00 | IKBKB (0.56) | IKBKBBCL9CTNNB1RBP4HTR1D | |
| SCHEMBL13936031 | 0.92 | IKBKB (0.53) | IKBKBBCL9CTNNB1ALDH1A1HTT | |
| SCHEMBL4504338 | 0.92 | IKBKB (0.53) | IKBKBBCL9CTNNB1ALDH1A1HTT | |
| SCHEMBL13936043 | 0.92 | IKBKB (0.53) | IKBKBBCL9CTNNB1ALDH1A1HTT | |
| SCHEMBL14599567 | 0.84 | IKBKB (0.46) | IKBKBBCL9CTNNB1ALDH1A1HTT | |
| SCHEMBL13954961 | 0.84 | IKBKB (0.50) | IKBKBALDH1A1HPGD | |
| SCHEMBL5568747 | 0.81 | IKBKB (0.47) | IKBKBHTR1DPDE10AGPR84 | |
| SCHEMBL4947847 | 0.81 | PRMT5 (0.42) | IKBKBBCL9CTNNB1HTT | |
| SCHEMBL14599370 | 0.81 | PRMT5 (0.42) | IKBKBBCL9CTNNB1HTT |
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-1326856-A1 | PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-BETA) INHIBITING ACTIVITY | Bayer Aktiengesellschaft (DE) | 2003-07-16 | — | — | EP | disclosed |
| WO-2002024679-A1 | PYRIDINE DERIVATIVES WITH IKB-KINASE (IKK-β) INHIBITING ACTIVITY | BAYER AKTIENGESELLSCHAFT (DE) | 2002-03-28 | — | — | WO | disclosed |