Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CPB1 | P15086 | 2/20 | 0.34 |
| ▸ | CPB2 | Q96IY4 | 2/20 | 0.34 |
| ▸ | F2 | P00734 | 1/20 | 0.31 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.31 |
| ▸ | TLR4 | O00206 | 1/20 | 0.30 |
| ▸ | THRA | P10827 | 1/20 | 0.30 |
| ▸ | THRB | P10828 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL28608372 | 1.00 | CPB1 (0.34) | CPB1CPB2F2PRSS1TLR4 | |
| SCHEMBL28594264 | 1.00 | CPB1 (0.34) | CPB1CPB2F2PRSS1TLR4 | |
| SCHEMBL28603572 | 1.00 | CPB1 (0.34) | CPB1CPB2F2PRSS1TLR4 | |
| SCHEMBL28594240 | 0.90 | CYP2D6 (0.32) | — | |
| SCHEMBL28596688 | 0.90 | CYP2D6 (0.32) | — | |
| SCHEMBL3683641 | 0.77 | THRA (0.36) | THRATHRB | |
| SCHEMBL28529272 | 0.77 | THRA (0.36) | THRATHRB | |
| SCHEMBL31270478 | 0.76 | THRA (0.35) | F2PRSS1THRATHRB | |
| SCHEMBL28644405 | 0.75 | THRA (0.34) | THRATHRB | |
| SCHEMBL5969001 | 0.74 | NOS2 (0.41) | F2THRATHRB |
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 |
|---|---|---|---|---|---|---|---|
| CN-113121562-B | Polycyclic compounds as inhibitors of bruton's tyrosine kinase | 詹森药业有限公司 | 2022-09-13 | — | — | CN | disclosed |
| CN-113121562-A | Polycyclic compounds as inhibitors of bruton's tyrosine kinase | 詹森药业有限公司 | 2021-07-16 | — | — | CN | disclosed |