Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.38 |
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | GLA | P06280 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.37 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.35 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA7 | P43166 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL8380519 | 0.81 | CA1 (0.48) | CYP3A4ACHEKDM4ETSHRHSD17B10 | |
| SCHEMBL6828158 | 0.77 | PTPN1 (0.40) | CYP3A4KDM4ETSHRALDH1A1NPSR1 | |
| SCHEMBL6825466 | 0.77 | PTPN1 (0.40) | CYP3A4KDM4ETSHRALDH1A1NPSR1 | |
| SCHEMBL29049264 | 0.76 | CA12 (0.48) | CYP3A4ACHEKDM4ETSHRHSD17B10 | |
| SCHEMBL8337624 | 0.75 | CA12 (0.40) | CYP3A4ACHEKDM4ETSHRGLA | |
| SCHEMBL5698060 | 0.74 | CA12 (0.46) | CYP3A4ACHEKDM4ETSHRHSD17B10 | |
| SCHEMBL31306912 | 0.74 | CA12 (0.46) | CYP3A4ACHEKDM4ETSHRHSD17B10 | |
| SCHEMBL18786888 | 0.73 | CYP3A4 (0.46) | CYP3A4ACHEKDM4ETSHRGLA | |
| SCHEMBL10483761 | 0.73 | PTPN1 (0.40) | CYP3A4KDM4EHSD17B10ALDH1A1NPSR1 | |
| SCHEMBL8335099 | 0.73 | ALDH1A1 (0.43) | CYP3A4ACHEKDM4ETSHRGLA |
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 |
|---|---|---|---|---|---|---|---|
| US-5886210-A | Method for preparing aromatic compounds | ROHM AND HAAS COMPANY (US) | 1999-03-23 | — | — | US | disclosed |
| EP-0825173-A1 | Method for preparing aromatic compounds | ROHM AND HAAS COMPANY (US) | 1998-02-25 | — | — | EP | disclosed |