Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 1/20 | 0.46 |
| ▸ | GPR52 | Q9Y2T5 | 9/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | SELL | P14151 | 1/20 | 0.41 |
| ▸ | SELP | P16109 | 1/20 | 0.41 |
| ▸ | SELE | P16581 | 1/20 | 0.41 |
| ▸ | GLS | O94925 | 1/20 | 0.41 |
| ▸ | PTPRB | P23467 | 1/20 | 0.40 |
| ▸ | CDC25A | P30304 | 1/20 | 0.40 |
| ▸ | CDC25B | P30305 | 1/20 | 0.40 |
| ▸ | PTEN | P60484 | 1/20 | 0.40 |
| ▸ | PTPMT1 | Q8WUK0 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | RGS12 | O14924 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL289958 | 1.00 | AKR1B1 (0.46) | AKR1B1GPR52CYP1A2CYP2C19PPARG | |
| SCHEMBL290358 | 0.83 | SLC7A5 (0.51) | GPR52KDM4ELMNAGAAMAPT | |
| SCHEMBL1628157 | 0.83 | SLC7A5 (0.51) | GPR52KDM4ELMNAGAAMAPT | |
| SCHEMBL290357 | 0.83 | SLC7A5 (0.51) | GPR52KDM4ELMNAGAAMAPT | |
| SCHEMBL11892098 | 0.82 | SLC7A5 (0.41) | GPR52PPARA | |
| SCHEMBL10985017 | 0.81 | AKR1B1 (0.50) | AKR1B1CYP1A2CYP2C19SELLSELP | |
| SCHEMBL20259161 | 0.81 | SLC7A5 (0.40) | GPR52KDM4ELMNAPPARA | |
| SCHEMBL4402323 | 0.80 | AKR1B1 (0.62) | AKR1B1CYP1A2CYP2C19SELLSELP | |
| SCHEMBL30638471 | 0.79 | KEAP1 (0.63) | AKR1B1CYP1A2CYP2C19SELLSELP | |
| SCHEMBL4407150 | 0.79 | KEAP1 (0.63) | AKR1B1CYP1A2CYP2C19SELLSELP |
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-2632452-A1 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER | ProMetic BioSciences Inc. (CA) | 2013-09-04 | — | — | EP | disclosed |
| WO-2012097427-A1 | COMPOUNDS AND COMPOSITIONS FOR THE TREATMENT OF CANCER | PROMETIC BIOSCIENCES INC. (CA) | 2012-07-26 | — | — | WO | disclosed |
| EP-2427416-A1 | SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF | ProMetic BioSciences Inc. (CA) | 2012-03-14 | — | — | EP | disclosed |
| WO-2010127440-A1 | SUBSTITUTED AROMATIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF | PROMETIC BIOSCIENCES INC. (CA) | 2010-11-11 | — | — | WO | disclosed |