Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 1/20 | 0.37 |
| ▸ | DAO | P14920 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.33 |
| ▸ | HTR1A | P08908 | 1/20 | 0.31 |
| ▸ | DRD2 | P14416 | 1/20 | 0.31 |
| ▸ | HTR2A | P28223 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL28677436 | 0.71 | BIRC5 (0.41) | CYP2A6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL29385772 | 0.71 | BIRC5 (0.41) | CYP2A6SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4720438 | 0.68 | DRD2 (0.42) | HTR1ADRD2 | |
| SCHEMBL718221 | 0.66 | KDM4E (0.37) | — | |
| SCHEMBL4720422 | 0.65 | ALDH1A1 (0.45) | DRD2 | |
| SCHEMBL29476084 | 0.65 | HTR6 (0.56) | SLC6A4HTR1ADRD2HTR2A | |
| SCHEMBL13533081 | 0.65 | HTR6 (0.56) | SLC6A4HTR1ADRD2HTR2A | |
| Hydrochloric Acid SCHEMBL30450176 | 0.64 | LMNA (0.57) | SLC6A4HTR1ADRD2HTR2A | |
| SCHEMBL2582372 | 0.64 | TLR9 (0.50) | CYP2A6DAOHTR1ADRD2HTR2A | |
| SCHEMBL4724581 | 0.63 | MCHR1 (0.40) | HTR1ADRD2 |
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-1539739-A1 | PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS | JANSSEN PHARMACEUTICA N.V. (BE) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004020435-A1 | PIPERIDINYL COMPOUNDS THAT SELECTIVELY BIND INTEGRINS | JANSSEN PHARMACEUTICA N.V. (BE) | 2004-03-11 | — | — | WO | disclosed |