Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 7/20 | 0.72 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.63 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.63 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.63 |
| ▸ | CHUK | O15111 | 1/20 | 0.63 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.63 |
| ▸ | BTK | Q06187 | 1/20 | 0.62 |
| ▸ | CDC7 | O00311 | 1/20 | 0.59 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.59 |
| ▸ | MAPT | P10636 | 7/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | GFER | P55789 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL4097325 | 0.84 | IKBKB (1.00) | IKBKBCYP1A2CYP3A4CYP2C9CHUK | |
| SCHEMBL6612593 | 0.80 | IKBKB (0.76) | IKBKBCYP1A2CYP3A4CYP2C9CHUK | |
| SCHEMBL4086753 | 0.80 | IKBKB (0.75) | IKBKBCYP1A2CYP3A4CYP2C9CHUK | |
| SCHEMBL6608113 | 0.79 | IKBKB (0.73) | IKBKBCYP1A2CYP3A4CYP2C9CHUK | |
| SCHEMBL4091841 | 0.78 | IKBKB (1.00) | IKBKBCYP1A2CYP3A4CYP2C9CHUK | |
| SCHEMBL6611685 | 0.78 | IKBKB (0.72) | IKBKBCYP1A2CYP3A4CYP2C9CHUK | |
| SCHEMBL1847243 | 0.77 | IKBKB (1.00) | IKBKBCYP1A2CYP3A4CYP2C9CHUK | |
| SCHEMBL6609956 | 0.76 | IKBKB (0.79) | IKBKBCYP1A2CYP3A4CYP2C9CHUK | |
| SCHEMBL6615542 | 0.76 | IKBKB (0.71) | IKBKBCYP1A2CYP3A4CYP2C9CHUK | |
| SCHEMBL6609347 | 0.76 | IKBKB (0.64) | IKBKBCYP1A2CYP3A4CYP2C9CHUK |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1444010-A2 | HETEROAROMATIC CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATION | Pharmacia Corporation (US) | 2004-08-11 | — | — | EP | claimed |
| WO-2003037886-A2 | HETEROAROMATIC CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATION | PHARMACIA CORPORATION (US) | 2003-05-08 | — | — | WO | claimed |
| EP-1444010-A2 | HETEROAROMATIC CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATION | Pharmacia Corporation (US) | 2004-08-11 | — | — | EP | disclosed |
| WO-2003037886-A2 | HETEROAROMATIC CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF INFLAMMATION | PHARMACIA CORPORATION (US) | 2003-05-08 | — | — | WO | disclosed |