Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | MDM2 | Q00987 | 2/20 | 0.41 |
| ▸ | DHFR | P00374 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | EGFR | P00533 | 1/20 | 0.39 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1689197 | 0.92 | ALDH1A1 (0.49) | TP53THRBALDH1A1GAALMNA | |
| SCHEMBL5611548 | 0.91 | TP53 (0.61) | TP53THRBALDH1A1GAALMNA | |
| SCHEMBL1688956 | 0.90 | ALDH1A1 (0.43) | TP53THRBALDH1A1GAALMNA | |
| SCHEMBL1689360 | 0.90 | TP53 (0.41) | TP53THRBALDH1A1GAALMNA | |
| SCHEMBL1689442 | 0.89 | TP53 (0.40) | TP53THRBALDH1A1GAALMNA | |
| SCHEMBL5611868 | 0.88 | ALDH1A1 (0.51) | TP53ALDH1A1GAALMNAKMT2A | |
| SCHEMBL1689299 | 0.88 | CYP1A2 (0.41) | TP53ALDH1A1GAALMNAKMT2A | |
| SCHEMBL1688964 | 0.87 | DHFR (0.40) | TP53ALDH1A1GAALMNAKMT2A | |
| SCHEMBL5611456 | 0.86 | THRB (0.61) | TP53THRBALDH1A1GAALMNA | |
| SCHEMBL5611994 | 0.86 | MAPT (0.49) | ALDH1A1GAALMNAKMT2AMEN1 |
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 |