Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPGD | P15428 | 3/20 | 0.61 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.61 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.58 |
| ▸ | POLB | P06746 | 3/20 | 0.56 |
| ▸ | ACHE | P22303 | 1/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | SLC6A7 | Q99884 | 1/20 | 0.54 |
| ▸ | BLM | P54132 | 1/20 | 0.53 |
| ▸ | MAOB | P27338 | 1/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | FASN | P49327 | 2/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | CA12 | O43570 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 1/20 | 0.50 |
| ▸ | CA2 | P00918 | 1/20 | 0.50 |
| ▸ | CA7 | P43166 | 1/20 | 0.50 |
| ▸ | CA9 | Q16790 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL252026 | 0.82 | HPGD (0.79) | HPGDMAPK1SIGMAR1POLBACHE | |
| SCHEMBL7129676 | 0.82 | HPGD (0.79) | HPGDMAPK1SIGMAR1POLBACHE | |
| SCHEMBL263534 | 0.81 | HPGD (0.66) | HPGDMAPK1SIGMAR1POLBACHE | |
| SCHEMBL13182763 | 0.81 | HPGD (0.66) | HPGDMAPK1SIGMAR1POLBACHE | |
| Hydrochloric Acid SCHEMBL1597472 | 0.80 | HPGD (0.76) | HPGDMAPK1SIGMAR1POLBACHE | |
| SCHEMBL12497620 | 0.79 | ALDH1A1 (0.41) | HPGDMAPK1POLBALDH1A1MEN1 | |
| SCHEMBL7776187 | 0.79 | HPGD (0.63) | HPGDMAPK1SIGMAR1POLBACHE | |
| SCHEMBL28469739 | 0.79 | HPGD (0.63) | HPGDMAPK1SIGMAR1POLBACHE | |
| SCHEMBL13952060 | 0.79 | HPGD (0.72) | HPGDMAPK1POLBALDH1A1MEN1 | |
| SCHEMBL10721898 | 0.79 | MAPK1 (0.85) | HPGDMAPK1POLBALDH1A1MEN1 |
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 |