Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KLK5 | Q9Y337 | 1/20 | 0.51 |
| ▸ | PLAU | P00749 | 2/20 | 0.46 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.46 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.46 |
| ▸ | F12 | P00748 | 1/20 | 0.46 |
| ▸ | NCF1 | P14598 | 1/20 | 0.46 |
| ▸ | NOS3 | P29474 | 1/20 | 0.46 |
| ▸ | NOS1 | P29475 | 1/20 | 0.46 |
| ▸ | NOS2 | P35228 | 1/20 | 0.46 |
| ▸ | BACE1 | P56817 | 1/20 | 0.46 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | CNR2 | P34972 | 4/20 | 0.44 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.43 |
| ▸ | PLG | P00747 | 1/20 | 0.42 |
| ▸ | SSTR1 | P30872 | 1/20 | 0.41 |
| ▸ | SSTR4 | P31391 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28855596 | 0.90 | KLK5 (0.47) | KLK5PLAUNCOA3CYP2A6F12 | |
| SCHEMBL27220785 | 0.87 | KLK5 (0.53) | KLK5PLAUNCOA3CYP2A6F12 | |
| SCHEMBL761986 | 0.87 | KLK5 (0.50) | KLK5PLAUNCOA3CYP2A6F12 | |
| SCHEMBL5716801 | 0.86 | KLK5 (0.49) | KLK5PLAUNCOA3CYP2A6F12 | |
| SCHEMBL523707 | 0.86 | KLK5 (0.49) | KLK5PLAUNCOA3CYP2A6F12 | |
| SCHEMBL28198079 | 0.86 | KLK5 (0.49) | KLK5PLAUNCOA3CYP2A6F12 | |
| SCHEMBL2230387 | 0.86 | KLK5 (0.49) | KLK5PLAUNCOA3CYP2A6F12 | |
| SCHEMBL231952 | 0.84 | KLK5 (0.51) | KLK5PLAUNCOA3CYP2A6F12 | |
| SCHEMBL28197980 | 0.83 | KLK5 (0.47) | KLK5PLAUNCOA3CYP2A6F12 | |
| SCHEMBL6859491 | 0.82 | CNR2 (0.52) | KLK5PLAUNCOA3CYP2A6F12 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106924264-A | Sigma ligands for preventing and/or treating postoperative pain | 埃斯特韦实验室有限公司 | 2017-07-07 | — | — | CN | disclosed |
| EP-2099303-A1 | THERAPEUTIC TETRAHYDROISOQUINOLINE-BASED COMPOSITIONS FOR CANCER THERAPY | The University of Tennessee Research Foundation (US) | 2009-09-16 | — | — | EP | disclosed |
| WO-2008064329-A1 | THERAPEUTIC TETRAHYDROISOQUINOLINE-BASED COMPOSITIONS FOR CANCER THERAPY | UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION (US) | 2008-05-29 | — | — | WO | disclosed |