Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.51 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.49 |
| ▸ | CCR3 | P51677 | 1/20 | 0.49 |
| ▸ | HRH3 | Q9Y5N1 | 4/20 | 0.48 |
| ▸ | HTR2A | P28223 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL9037240 | 0.91 | GRIN2B (0.45) | ACHEGRIN2BSIGMAR1CCR3HRH3 | |
| SCHEMBL8541891 | 0.82 | HTT (0.63) | ACHEGRIN2BSIGMAR1CCR3HRH3 | |
| SCHEMBL8545141 | 0.81 | PTGS2 (0.53) | ACHEGRIN2B | |
| SCHEMBL8696219 | 0.80 | PTGS2 (0.43) | — | |
| SCHEMBL8539516 | 0.80 | HRH3 (0.53) | ACHEGRIN2BSIGMAR1CCR3HRH3 | |
| SCHEMBL8539193 | 0.79 | GRIN2B (0.54) | GRIN2BSIGMAR1CCR3HRH3HTR2A | |
| SCHEMBL83059 | 0.76 | SIGMAR1 (0.69) | GRIN2BSIGMAR1CCR3HRH3 | |
| SCHEMBL8540771 | 0.76 | GRIN2B (0.58) | GRIN2BSIGMAR1CCR3HRH3SLC6A4 | |
| SCHEMBL8542377 | 0.75 | HRH3 (0.53) | GRIN2BSIGMAR1CCR3HRH3 | |
| SCHEMBL8543286 | 0.75 | GRIN2B (0.55) | GRIN2BSIGMAR1CCR3HRH3HTR2A |
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 |
|---|---|---|---|---|---|---|---|
| EP-0705258-B1 | AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY | KNOLL AG (DE) | 1998-12-30 | — | — | EP | disclosed |
| WO-1995000507-A1 | AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY | KNOLL AG (DE) | 1995-01-05 | — | — | WO | disclosed |