Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | CYP19A1 | P11511 | 9/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL2690407 | 0.81 | CYP1A2 (0.47) | TLR4CYP1A2CYP19A1 | |
| SCHEMBL4741801 | 0.80 | CYP1A2 (0.50) | TLR4CYP1A2CYP19A1 | |
| SCHEMBL2692573 | 0.80 | CYP1A2 (0.50) | TLR4CYP1A2CYP19A1 | |
| SCHEMBL30518306 | 0.80 | CYP1A2 (0.50) | TLR4CYP1A2CYP19A1 | |
| SCHEMBL30931490 | 0.80 | CYP1A2 (0.50) | TLR4CYP1A2CYP19A1 | |
| SCHEMBL8025402 | 0.80 | CYP1A2 (0.50) | TLR4CYP1A2CYP19A1 | |
| SCHEMBL30931491 | 0.80 | CYP1A2 (0.50) | TLR4CYP1A2CYP19A1 | |
| SCHEMBL8040250 | 0.80 | CYP1A2 (0.50) | TLR4CYP1A2CYP19A1 | |
| SCHEMBL11382008 | 0.79 | TLR4 (0.49) | TLR4CYP1A2HTTSMN1; SMN2CYP19A1 | |
| SCHEMBL28035595 | 0.79 | TLR4 (0.41) | TLR4CYP1A2HTTSMN1; SMN2CYP19A1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104781251-B | Can as kinase modulator through the substituted pyridinyl compounds of bicyclic heterocycle | 百时美施贵宝公司 | 2016-12-14 | — | — | CN | disclosed |