Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A2 | P23975 | 2/20 | 0.45 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.45 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.45 |
| ▸ | CACNA2D1 | P54289 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.40 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.39 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.39 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.39 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.39 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 4/20 | 0.38 |
| ▸ | LMNA | P02545 | 4/20 | 0.37 |
| ▸ | MAPT | P10636 | 2/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.36 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4104611 | 1.00 | SLC6A2 (0.45) | SLC6A2SLC6A4SLC6A3CACNA2D1ALDH1A1 | |
| SCHEMBL4105919 | 1.00 | SLC6A2 (0.45) | SLC6A2SLC6A4SLC6A3CACNA2D1ALDH1A1 | |
| SCHEMBL4099505 | 0.84 | OPRL1 (0.47) | SLC6A2SLC6A4SLC6A3HRH3KCNH2 | |
| SCHEMBL4099664 | 0.84 | OPRL1 (0.47) | SLC6A2SLC6A4SLC6A3HRH3KCNH2 | |
| SCHEMBL4097078 | 0.76 | TP53 (0.44) | ALDH1A1KDM4EHSD17B10SLC1A2TP53 | |
| SCHEMBL4106918 | 0.76 | TP53 (0.44) | ALDH1A1KDM4EHSD17B10SLC1A2TP53 | |
| SCHEMBL14095780 | 0.70 | SLC6A4 (0.52) | SLC6A2SLC6A4SLC6A3KCNH2 | |
| SCHEMBL20818025 | 0.70 | SLC6A4 (0.63) | SLC6A2SLC6A4SLC6A3ALDH1A1KDM4E | |
| SCHEMBL13750181 | 0.70 | HRH3 (0.47) | SLC6A2SLC6A4SLC6A3CACNA2D1HRH3 | |
| SCHEMBL13749435 | 0.70 | HRH3 (0.47) | SLC6A2SLC6A4SLC6A3CACNA2D1HRH3 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008134036-A1 | ALPHA-SUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-α]PYRIMIDINE AMIDE DERIVATIVES | PANACOS PHARMACEUTICALS, INC. (US) | 2008-11-06 | — | — | WO | disclosed |