Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TLR4 | O00206 | 2/20 | 0.42 |
| ▸ | TLR2 | O60603 | 2/20 | 0.42 |
| ▸ | PARP15 | Q460N3 | 5/20 | 0.38 |
| ▸ | PARP10 | Q53GL7 | 5/20 | 0.38 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.37 |
| ▸ | MAOA | P21397 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 2/20 | 0.37 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4569118 | 0.92 | TLR4 (0.45) | TLR4TLR2PARP15PARP10PARP2 | |
| SCHEMBL1417220 | 0.82 | CHRNB4 (0.43) | PARP15PARP10PARP2CHRNB4CHRNA3 | |
| SCHEMBL18003885 | 0.82 | HPGD (0.37) | MAOAMAOBCHRNB4CHRNA3HPGD | |
| SCHEMBL20208342 | 0.81 | TLR4 (0.42) | TLR4TLR2PARP15PARP10PARP2 | |
| SCHEMBL14227724 | 0.81 | TLR4 (0.42) | TLR4TLR2PARP15PARP10PARP2 | |
| SCHEMBL16247136 | 0.80 | TLR4 (0.50) | TLR4TLR2PARP15PARP10PARP2 | |
| SCHEMBL18003786 | 0.79 | MAOA (0.34) | MAOAMAOBCHRNB4CHRNA3ALDH1A1 | |
| SCHEMBL18003300 | 0.78 | HPGD (0.39) | MAOAMAOBCHRNB4CHRNA3HPGD | |
| SCHEMBL13746027 | 0.77 | TLR4 (0.39) | TLR4TLR2PARP15PARP10PARP2 | |
| SCHEMBL27910449 | 0.77 | NR1H4 (0.47) | TLR4TLR2PARP15PARP10PARP2 |
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-111132961-A | Bisaryloxy derivatives as TTX-S blockers | 拉夸里亚创药株式会社 | 2020-05-08 | — | — | CN | disclosed |