Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IKBKB | O14920 | 1/20 | 0.57 |
| ▸ | LMNA | P02545 | 2/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | NAMPT | P43490 | 10/20 | 0.45 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.45 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.45 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.45 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.35 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.35 |
| ▸ | EGFR | P00533 | 3/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14212498 | 0.88 | IKBKB (0.59) | IKBKBLMNANAMPTCYP3A4CYP2D6 | |
| SCHEMBL8917926 | 0.88 | IKBKB (0.59) | IKBKBLMNANAMPTCYP3A4CYP2D6 | |
| SCHEMBL14212482 | 0.85 | IKBKB (0.59) | IKBKBLMNANAMPTCYP3A4CYP2D6 | |
| SCHEMBL14212495 | 0.84 | IKBKB (0.51) | IKBKBLMNANAMPTCYP3A4CYP2D6 | |
| SCHEMBL14212491 | 0.84 | IKBKB (0.58) | IKBKBLMNANAMPTCYP3A4CYP2D6 | |
| Chs-828 SCHEMBL12083293 | 0.83 | IKBKB (0.80) | IKBKBLMNAMAPK1NAMPTCYP3A4 | |
| Chs-828 SCHEMBL16312347 | 0.83 | IKBKB (0.80) | IKBKBLMNAMAPK1NAMPTCYP3A4 | |
| SCHEMBL8918236 | 0.83 | IKBKB (0.80) | IKBKBLMNAMAPK1NAMPTCYP3A4 | |
| Chs-828 SCHEMBL810990 | 0.83 | IKBKB (0.80) | IKBKBLMNAMAPK1NAMPTCYP3A4 | |
| SCHEMBL8917545 | 0.83 | IKBKB (0.80) | IKBKBLMNAMAPK1NAMPTCYP3A4 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1411984-B1 | COMBINATION MEDICAMENT FOR TREATMENT OF NEOPLASTIC DISEASES WHICH CONTAINS CYANOGUANIDINE IKK INHIBITORS AND A SECOND ANTI-NEOPLASTIC DRUG | LEO PHARMA AS (DK) | 2008-05-07 | — | — | EP | claimed |
| EP-1411984-A2 | COMBINATION MEDICAMENT FOR TREATMENT OF NEOPLASTIC DISEASES WHICH CONTAINS CYANOGUANIDINE IKK INHIBITORS AND A SECOND ANTI-NEOPLASTIC DRUG | Leo Pharma A/S (DK) | 2004-04-28 | — | — | EP | claimed |
| WO-2002094322-A2 | COMBINATION MEDICAMENT FOR TREATMENT OF NEOPLASTIC DISEASES CONTAINING CYANOGUANIDINE IKK INHIBITORS AND A SECOND ANTI-NEOPLASTIC DRUG | LEO PHARMA A/S (DK) | 2002-11-28 | — | — | WO | claimed |
| EP-1411984-B1 | COMBINATION MEDICAMENT FOR TREATMENT OF NEOPLASTIC DISEASES WHICH CONTAINS CYANOGUANIDINE IKK INHIBITORS AND A SECOND ANTI-NEOPLASTIC DRUG | LEO PHARMA AS (DK) | 2008-05-07 | — | — | EP | disclosed |
| WO-2005009354-A2 | COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND AN IKK INHIBITOR FOR THE TREATMENT OF ISCHEMIC-MEDIATED CENTRAL NERVOUS SYSTEM DISORDERS OR INJURY | PHARMACIA CORPORATION (US) | 2005-02-03 | — | — | WO | disclosed |