Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.32 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.32 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | RAB9A | P51151 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.32 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.31 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL6542704 | 0.76 | CHRM5 (0.31) | CHRM5CHRM3 | |
| SCHEMBL2110264 | 0.73 | SIGMAR1 (0.42) | CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL7970534 | 0.71 | SIGMAR1 (0.41) | CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL4446108 | 0.69 | SIGMAR1 (0.40) | CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL687466 | 0.66 | SIGMAR1 (0.40) | CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11409433 | 0.65 | OPRM1 (0.42) | CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL1408748 | 0.65 | ALDH1A1 (0.41) | CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL16267250 | 0.64 | PADI1 (0.47) | CYP3A4CYP2C19SLC6A2SLC6A4SLC6A3 | |
| Hydrochloric Acid SCHEMBL28635173 | 0.64 | OPRM1 (0.41) | SLC6A2SLC6A4SLC6A3ALDH1A1LMNA | |
| N-(Ethoxycarbonyl)Piperazine SCHEMBL28219889 | 0.64 | TSHR (0.55) | CYP2C19GAAALDH1A1LMNAMAPT |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1641770-A4 | SYNTHESIS OF TRIS N-ALKYLATED 1,4,7,10-TETRAAZACYCLODODECANES | UNIV HONG KONG (CN) | 2008-12-31 | — | — | EP | disclosed |
| EP-1641770-A1 | SYNTHESIS OF TRIS N-ALKYLATED 1,4,7,10-TETRAAZACYCLODODECANES | The University of Hong Kong (CN) | 2006-04-05 | — | — | EP | disclosed |
| US-20050033106-A1 | Synthesis of tris N-alkylated 1,4,7,10-tetraazacyclododecanes | UNIVERSITY OF HONG KONG (CN) | 2005-02-10 | — | — | US | disclosed |
| WO-2005003105-A1 | SYNTHESIS OF TRIS N-ALKYLATED 1,4,7,10-TETRAAZACYCLODODECANES | THE UNIVERSITY OF HONG KONG (CN) | 2005-01-13 | — | — | WO | disclosed |