Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.49 |
| ▸ | TSHR | P16473 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 3/20 | 0.45 |
| ▸ | GRM1 | Q13255 | 2/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 1/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.44 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.44 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.42 |
| ▸ | MYC | P01106 | 1/20 | 0.42 |
| ▸ | ESR1 | P03372 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL18936286 | 1.00 | PTPN1 (0.51) | PTPN1KDM4ETSHRALDH1A1HPGD | |
| SCHEMBL28404219 | 0.86 | CYP1A2 (0.61) | PTPN1KDM4ETSHRALDH1A1HPGD | |
| SCHEMBL11591905 | 0.84 | PTPN1 (0.50) | PTPN1KDM4ETSHRALDH1A1HPGD | |
| SCHEMBL2749203 | 0.84 | PTPN1 (0.59) | PTPN1KDM4EALDH1A1HPGDGRM1 | |
| SCHEMBL2748359 | 0.84 | ESR1 (0.53) | PTPN1KDM4EALDH1A1HPGDTDP1 | |
| SCHEMBL1476496 | 0.82 | PTPN1 (0.49) | PTPN1KDM4EALDH1A1HPGDGRM1 | |
| SCHEMBL8529516 | 0.82 | ALDH1A1 (0.58) | PTPN1KDM4ETSHRALDH1A1HPGD | |
| SCHEMBL22289736 | 0.82 | PTPN1 (0.49) | PTPN1KDM4ETSHRALDH1A1HPGD | |
| SCHEMBL7088722 | 0.82 | PTPN1 (0.64) | PTPN1KDM4ETSHRALDH1A1HPGD | |
| SCHEMBL10961109 | 0.82 | RARB (0.51) | KDM4ETSHRALDH1A1HPGDTDP1 |
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-108699003-B | Catalytic hydrogenation process for preparing pyrazoles | 巴斯夫欧洲公司 | 2023-02-03 | — | — | CN | disclosed |