Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TNF | P01375 | 3/20 | 0.66 |
| ▸ | IL6 | P05231 | 3/20 | 0.66 |
| ▸ | CYP24A1 | Q07973 | 1/20 | 0.49 |
| ▸ | IKBKB | O14920 | 1/20 | 0.49 |
| ▸ | RAF1 | P04049 | 1/20 | 0.49 |
| ▸ | RPS6KB1 | P23443 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | AKT1 | P31749 | 1/20 | 0.49 |
| ▸ | AKT2 | P31751 | 1/20 | 0.49 |
| ▸ | KDR | P35968 | 1/20 | 0.49 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.49 |
| ▸ | PRKAG1 | P54619 | 1/20 | 0.49 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.49 |
| ▸ | PRKAA1 | Q13131 | 1/20 | 0.49 |
| ▸ | NEK1 | Q96PY6 | 1/20 | 0.49 |
| ▸ | PRKAB1 | Q9Y478 | 1/20 | 0.49 |
| ▸ | NFE2L2 | Q16236 | 1/20 | 0.46 |
| ▸ | MYC | P01106 | 1/20 | 0.45 |
| ▸ | MAX | P61244 | 1/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3567965 | 0.80 | IKBKB (0.63) | IKBKBRAF1RPS6KB1MAPK1AKT1 | |
| SCHEMBL7130300 | 0.80 | IKBKB (0.63) | IKBKBRAF1RPS6KB1MAPK1AKT1 | |
| SCHEMBL31518792 | 0.80 | IKBKB (0.63) | IKBKBRAF1RPS6KB1MAPK1AKT1 | |
| SCHEMBL14119823 | 0.80 | TNF (1.00) | TNFIL6CYP24A1IKBKBNFE2L2 | |
| SCHEMBL8122478 | 0.80 | TNF (0.71) | TNFIL6CYP24A1IKBKBRAF1 | |
| SCHEMBL14119825 | 0.80 | TNF (1.00) | TNFIL6CYP24A1IKBKBNFE2L2 | |
| SCHEMBL27967110 | 0.80 | TNF (0.71) | TNFIL6CYP24A1IKBKBRAF1 | |
| Hydrochloric Acid SCHEMBL27967262 | 0.78 | TNF (0.69) | TNFIL6CYP24A1IKBKBRAF1 | |
| SCHEMBL29061228 | 0.78 | HTT (0.48) | TNFIL6IKBKBRAF1RPS6KB1 | |
| SCHEMBL29061233 | 0.78 | HTT (0.48) | TNFIL6IKBKBRAF1RPS6KB1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105037252-A | N-substituted-3,5-bis(2-trifluoromethyl)benzal)piperidine-4-one derivative, preparation method and application thereof | UNIV WENZHOU MEDICAL | 2015-11-11 | — | — | CN | claimed |
| CN-105037252-B | N- substitutions -3,5- two (2- (trifluoromethyl) benzal) piperidin-4-one-derivative and preparation method and application | 温州医科大学 | 2018-05-04 | — | — | CN | disclosed |
| CN-105037252-A | N-substituted-3,5-bis(2-trifluoromethyl)benzal)piperidine-4-one derivative, preparation method and application thereof | UNIV WENZHOU MEDICAL | 2015-11-11 | — | — | CN | disclosed |
| WO-2001040188-A9 | CURCUMIN ANALOGUES FOR TREATING CANCER | UNIV EMORY (US) | 2002-07-25 | — | — | WO | disclosed |