Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | HTT | P42858 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.43 |
| ▸ | PPARA | Q07869 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | P2RX3 | P56373 | 2/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL5634381 | 0.88 | TUBB4A (0.52) | LMNAHTTTSHRRAB9AMAPK1 | |
| SCHEMBL3524161 | 0.87 | ALDH1A1 (0.50) | ALDH1A1LMNAHTTTSHRMAPT | |
| SCHEMBL5634909 | 0.86 | CNR1 (0.43) | LMNATSHRMAPK1PPARGPPARA | |
| SCHEMBL5634878 | 0.85 | HTT (0.47) | ALDH1A1LMNAHTTTSHRRAB9A | |
| SCHEMBL3610721 | 0.85 | TUBB4A (0.41) | LMNATSHRMAPK1PPARGPPARA | |
| SCHEMBL5634437 | 0.83 | LMNA (0.47) | LMNAHTTTSHRMAPTMAPK1 | |
| SCHEMBL25172097 | 0.81 | ALDH1A1 (0.62) | ALDH1A1LMNAHTTTSHRMAPT | |
| SCHEMBL3530200 | 0.79 | NMT1 (0.51) | MAPTMAPK1L3MBTL1 | |
| SCHEMBL5633890 | 0.79 | OGA (0.44) | ALDH1A1LMNAHTTMAPTMAPK1 | |
| SCHEMBL5633750 | 0.79 | LMNA (0.47) | ALDH1A1LMNAHTTTSHRMAPT |
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-1569646-A2 | PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004054974-A2 | PIPERIDINE DERIVATIVES AS CCR5 ANTAGONISTS | SMITHKLINE BEECHAM CORPORATION (US) | 2004-07-01 | — | — | WO | disclosed |