Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | PTPRB | P23467 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | USP2 | O75604 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.48 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.47 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.47 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | CTBP2 | P56545 | 1/20 | 0.47 |
| ▸ | MMP13 | P45452 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL10881439 | 0.85 | KCNN4 (0.56) | CYP1A2PTPRBMEN1KMT2AHIF1A | |
| SCHEMBL4012727 | 0.85 | KCNN4 (0.56) | CYP1A2PTPRBMEN1KMT2AHIF1A | |
| SCHEMBL4012715 | 0.80 | KIF11 (0.46) | PTPRBMEN1KMT2AALDH1A1SMN1; SMN2 | |
| SCHEMBL8953325 | 0.78 | CYP1A2 (0.51) | CYP1A2PTPRBMEN1KMT2AUSP2 | |
| SCHEMBL8953320 | 0.78 | CYP1A2 (0.51) | CYP1A2PTPRBMEN1KMT2AUSP2 | |
| SCHEMBL4008245 | 0.77 | KCNN4 (0.50) | PTPRBMEN1KMT2ARAB9AALDH1A1 | |
| SCHEMBL3654821 | 0.76 | CYP1A2 (0.44) | CYP1A2MEN1KMT2AUSP2KDM4E | |
| SCHEMBL20228977 | 0.76 | MAOB (0.51) | CYP1A2CHRM2CHRM1CHRM3 | |
| SCHEMBL12802274 | 0.75 | CYP1A2 (0.54) | CYP1A2MEN1KMT2AUSP2HIF1A | |
| SCHEMBL6767537 | 0.75 | CYP1A2 (0.45) | CYP1A2MEN1KMT2AUSP2KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| CN-101023062-A | Production of alpha, beta-unsaturated esters and acids by stereoselective dehydration | JANSSEN PHARMACEUTICA NV (BE) | 2007-08-22 | — | — | CN | disclosed |