Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | MGLL | Q99685 | 4/20 | 0.37 |
| ▸ | BLM | P54132 | 2/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | GMNN | O75496 | 1/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | THPO | P40225 | 1/20 | 0.37 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.36 |
| ▸ | WRN | Q14191 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | GSK3A | P49840 | 2/20 | 0.35 |
| ▸ | GSK3B | P49841 | 2/20 | 0.35 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.31 |
| ▸ | HTT | P42858 | 2/20 | 0.31 |
| ▸ | XBP1 | P17861 | 1/20 | 0.31 |
| ▸ | ALOX12 | P18054 | 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 | |
|---|---|---|---|---|
| SCHEMBL29279039 | 0.73 | NFKB1 (0.43) | ALDH1A1MGLLBLMNPSR1GMNN | |
| SCHEMBL28022264 | 0.72 | MGLL (0.37) | ALDH1A1MGLLBLMNPSR1GMNN | |
| SCHEMBL16588917 | 0.69 | KDM4E (0.39) | ALDH1A1GSK3AGSK3BHTTCACNA1B | |
| SCHEMBL3694475 | 0.64 | PTGS1 (0.36) | ALDH1A1MGLLLMNAMAPTHPGD | |
| SCHEMBL6730017 | 0.64 | ALDH1A1 (0.40) | ALDH1A1MGLLBLMNPSR1GMNN | |
| SCHEMBL5112834 | 0.63 | L3MBTL1 (0.31) | TDP1 | |
| SCHEMBL23649967 | 0.62 | ALDH1A1 (0.35) | ALDH1A1MGLLBLMNPSR1GMNN | |
| SCHEMBL19665269 | 0.61 | MGLL (0.42) | ALDH1A1MGLLBLMNPSR1GMNN | |
| Hydrochloric Acid SCHEMBL28493006 | 0.60 | GSK3A (0.36) | ALDH1A1MGLLBLMNPSR1GMNN | |
| SCHEMBL4890528 | 0.60 | — | — |
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-0931062-B1 | CONJUGATES AND SPECIFIC IMMUNOASSAYS FOR THE METHADONE METABOLITE 2-ETHYLIDINE-1,5-DIMETHYL-3,3-DIPHENYLPYRROLIDINE | MICROGENICS CORP (US) | 2004-11-17 | — | — | EP | disclosed |
| US-6140137-A | METABOLITE LINKED TO POLYPEPTIDE FOR ANALYSIS AND ANTIBODY PRODUCTION; MONITORING COMPLIANCE WITH METHADONE TREATMENT | MICROGENICS CORPORATION (US) | 2000-10-31 | — | — | US | disclosed |
| EP-0931062-A1 | CONJUGATES AND SPECIFIC IMMUNOASSAYS FOR THE METHADONE METABOLITE 2-ETHYLIDINE-1,5-DIMETHYL-3,3-DIPHENYLPYRROLIDINE | MICROGENICS CORPORATION (US) | 1999-07-28 | — | — | EP | disclosed |
| WO-1998054133-A1 | CONJUGATES AND SPECIFIC IMMUNOASSAYS FOR THE METHADONE METABOLITE 2-ETHYLIDINE-1,5-DIMETHYL-3,3-DIPHENYLPYRROLIDINE | MICROGENICS CORPORATION (US) | 1998-12-03 | — | — | WO | disclosed |