Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.48 |
| ▸ | CES2 | O00748 | 2/20 | 0.47 |
| ▸ | JAK2 | O60674 | 1/20 | 0.44 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.44 |
| ▸ | RET | P07949 | 1/20 | 0.44 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.44 |
| ▸ | CDK8 | P49336 | 1/20 | 0.44 |
| ▸ | NTRK3 | Q16288 | 1/20 | 0.44 |
| ▸ | NTRK2 | Q16620 | 1/20 | 0.44 |
| ▸ | AURKB | Q96GD4 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | TLR7 | Q9NYK1 | 3/20 | 0.40 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.40 |
| ▸ | CDK2 | P24941 | 1/20 | 0.40 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3361277 | 0.74 | CES2 (0.65) | CES2ALDH1A1NPSR1SRD5A2MEN1 | |
| SCHEMBL6500852 | 0.73 | CES2 (0.56) | CES2NPSR1TLR7SRD5A2MEN1 | |
| SCHEMBL5797375 | 0.72 | AKR1B1 (0.50) | AKR1B1CES2JAK2NTRK1RET | |
| SCHEMBL27627736 | 0.72 | CES2 (0.62) | CES2ALDH1A1NPSR1SRD5A2MEN1 | |
| Bromide SCHEMBL6282484 | 0.72 | CES2 (0.55) | CES2NPSR1TLR7SRD5A2MEN1 | |
| SCHEMBL786699 | 0.71 | CES2 (0.61) | CES2ALDH1A1NPSR1SRD5A2MEN1 | |
| SCHEMBL5796336 | 0.70 | CES2 (0.41) | AKR1B1CES2ALDH1A1MEN1KMT2A | |
| SCHEMBL14561095 | 0.70 | CES2 (0.43) | CES2ALDH1A1NPSR1TLR7POLB | |
| SCHEMBL27243759 | 0.69 | CES2 (0.71) | CES2ALDH1A1NPSR1SRD5A2MEN1 | |
| SCHEMBL6601858 | 0.68 | CES2 (0.50) | CES2NPSR1TLR7SRD5A2ACHE |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006038734-A1 | PYRIDAZINONE DERIVATIVES CYTOKINES INHIBITORS | ASTELLAS PHARMA INC. (JP) | 2006-04-13 | — | — | WO | disclosed |