Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GPR139 | Q6DWJ6 | 2/20 | 0.50 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.48 |
| ▸ | CACNA1B | Q00975 | 2/20 | 0.48 |
| ▸ | CACNB1 | Q02641 | 2/20 | 0.48 |
| ▸ | CACNA1C | Q13936 | 1/20 | 0.48 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.43 |
| ▸ | GRM5 | P41594 | 1/20 | 0.43 |
| ▸ | FBP1 | P09467 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6988112 | 0.99 | GPR139 (0.49) | GPR139CACNA2D1CACNA1BCACNB1CACNA1C | |
| SCHEMBL6987678 | 0.88 | CYP3A4 (0.47) | CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1 | |
| Hydrochloric Acid SCHEMBL4681386 | 0.87 | CYP3A4 (0.46) | CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1 | |
| SCHEMBL28232257 | 0.79 | NPC1 (0.57) | CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1 | |
| SCHEMBL4575059 | 0.79 | NPC1 (0.57) | CACNA2D1CACNA1BCACNB1CACNA1CALDH1A1 | |
| Hydrochloric Acid SCHEMBL6988792 | 0.78 | KMT2A (0.58) | ALDH1A1NPC1 | |
| SCHEMBL6984610 | 0.77 | NPC1 (0.55) | P2RY12NPC1LMNA | |
| SCHEMBL4677423 | 0.77 | KDM4E (0.56) | ALDH1A1HTTKDM4EHPGD | |
| Hydrochloric Acid SCHEMBL6990408 | 0.76 | KMT2A (0.51) | ALDH1A1HTTKDM4E | |
| Hydrochloric Acid SCHEMBL6993204 | 0.76 | POLB (0.56) | ALDH1A1HTTKDM4E |
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-1343775-A2 | PIPERAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2003-09-17 | — | — | EP | disclosed |
| WO-2002048124-A2 | PIPERAZINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2002-06-20 | — | — | WO | disclosed |