Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | CHRNB4 | P30926 | 6/20 | 0.48 |
| ▸ | CHRNA3 | P32297 | 6/20 | 0.48 |
| ▸ | CHRNB2 | P17787 | 6/20 | 0.48 |
| ▸ | CHRNA4 | P43681 | 6/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.46 |
| ▸ | CCR2 | P41597 | 1/20 | 0.46 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8699420 | 0.94 | SLC6A2 (0.48) | SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3 | |
| SCHEMBL8539478 | 0.90 | SLC6A2 (0.50) | SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3 | |
| SCHEMBL8538300 | 0.86 | GRIN2B (0.54) | — | |
| Hydrochloric Acid SCHEMBL8546852 | 0.85 | GRIN2B (0.53) | — | |
| SCHEMBL9261150 | 0.85 | SLC6A2 (0.41) | SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3 | |
| SCHEMBL8545375 | 0.83 | SIGMAR1 (0.59) | KMT2A | |
| SCHEMBL9037944 | 0.82 | SLC6A2 (0.39) | SLC6A2SLC6A4SLC6A3CHRNB4CHRNA3 | |
| SCHEMBL8545836 | 0.81 | HRH3 (0.53) | — | |
| SCHEMBL8543269 | 0.81 | SIGMAR1 (0.47) | KMT2A | |
| SCHEMBL8696473 | 0.79 | SIGMAR1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0705258-B1 | AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY | KNOLL AG (DE) | 1998-12-30 | — | — | EP | disclosed |
| EP-0705258-A1 | AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY | Knoll AG (DE) | 1996-04-10 | — | — | EP | disclosed |
| WO-1995000507-A1 | AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY | KNOLL AG (DE) | 1995-01-05 | — | — | WO | disclosed |