Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 1/20 | 0.48 |
| ▸ | TLR2 | O60603 | 1/20 | 0.48 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.44 |
| ▸ | MAOB | P27338 | 2/20 | 0.43 |
| ▸ | NPC1 | O15118 | 4/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | CNR2 | P34972 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.41 |
| ▸ | APP | P05067 | 3/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.40 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.40 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.40 |
| ▸ | RELA | Q04206 | 1/20 | 0.40 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL29070974 | 0.88 | SMN1; SMN2 (0.42) | MAOBNPC1RAB9AMAOASMN1; SMN2 | |
| SCHEMBL28657269 | 0.84 | PIN1 (0.42) | TLR4TLR2CYP19A1MAOBNPC1 | |
| SCHEMBL28550433 | 0.79 | MAOB (0.53) | MAOBNPC1RAB9ATDP1APP | |
| SCHEMBL4252795 | 0.77 | TDP1 (0.40) | TDP1APPSMN1; SMN2KMT2AMAPT | |
| SCHEMBL7102594 | 0.76 | MAOB (0.49) | MAOBNPC1RAB9ATDP1APP | |
| SCHEMBL7024020 | 0.76 | MAOB (0.53) | MAOBNPC1RAB9ATDP1APP | |
| SCHEMBL15475132 | 0.75 | TLR4 (0.47) | TLR4TLR2CYP19A1MAOBNPC1 | |
| SCHEMBL11428678 | 0.73 | SMN1; SMN2 (0.37) | NPC1RAB9ATDP1SMN1; SMN2POLB | |
| SCHEMBL2942057 | 0.73 | APP (0.48) | NPC1RAB9AAPPSMN1; SMN2KMT2A | |
| SCHEMBL9796044 | 0.72 | TLR4 (0.63) | TLR4TLR2CYP19A1MAOBNPC1 |
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 |