Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DHFR | P00374 | 6/20 | 0.62 |
| ▸ | TNKS | O95271 | 4/20 | 0.42 |
| ▸ | TNKS2 | Q9H2K2 | 4/20 | 0.42 |
| ▸ | PARP2 | Q9UGN5 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | BLM | P54132 | 1/20 | 0.41 |
| ▸ | PLEC | Q15149 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.40 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.37 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL5611463 | 0.87 | DHFR (0.64) | DHFRTNKSTNKS2PARP2ALDH1A1 | |
| SCHEMBL1689041 | 0.86 | DHFR (0.60) | DHFRTNKSTNKS2PARP2ALDH1A1 | |
| SCHEMBL5611707 | 0.85 | DHFR (0.70) | DHFRTNKSTNKS2PARP2ALDH1A1 | |
| SCHEMBL5611631 | 0.85 | DHFR (0.66) | DHFRTNKSTNKS2ALDH1A1LMNA | |
| SCHEMBL5611867 | 0.82 | DHFR (0.62) | DHFRTNKSTNKS2PARP2ALDH1A1 | |
| SCHEMBL4510952 | 0.82 | DHFR (0.65) | DHFRTNKSTNKS2PARP2ALDH1A1 | |
| SCHEMBL1688958 | 0.82 | DHFR (0.65) | DHFRTNKSTNKS2PARP2ALDH1A1 | |
| SCHEMBL1689321 | 0.82 | DHFR (0.65) | DHFRTNKSTNKS2PARP2ALDH1A1 | |
| SCHEMBL5611811 | 0.79 | DHFR (0.61) | DHFRALDH1A1LMNAMAPTKDM4E | |
| SCHEMBL5611669 | 0.77 | DHFR (0.51) | DHFRTNKSTNKS2PARP2ALDH1A1 |
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-1807429-A2 | COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY | IRM, LLC (BM) | 2007-07-18 | — | — | EP | claimed |
| WO-2006047516-A2 | COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY | IRM LLC (BM) | 2006-05-04 | — | — | WO | claimed |