Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 5/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | TSHR | P16473 | 2/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.50 |
| ▸ | CASP1 | P29466 | 1/20 | 0.50 |
| ▸ | RECQL | P46063 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | CA1 | P00915 | 2/20 | 0.42 |
| ▸ | CA2 | P00918 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | PDE7A | Q13946 | 2/20 | 0.38 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.36 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL11453642 | 0.85 | CYP3A4 (0.47) | CYP3A4ALDH1A1TSHRALOX15THRB | |
| SCHEMBL8714624 | 0.80 | CYP3A4 (0.43) | CYP3A4ALDH1A1TSHRALOX15THRB | |
| SCHEMBL5699452 | 0.79 | ALDH1A1 (0.44) | CYP3A4ALDH1A1TSHRALOX15THRB | |
| SCHEMBL1964539 | 0.76 | CYP3A4 (0.56) | CYP3A4ALDH1A1TSHRALOX15THRB | |
| SCHEMBL11560129 | 0.76 | L3MBTL1 (0.50) | CYP3A4ALDH1A1TSHRALOX15THRB | |
| SCHEMBL13093045 | 0.74 | CYP3A4 (0.54) | CYP3A4ALDH1A1TSHRALOX15THRB | |
| SCHEMBL9517127 | 0.72 | CYP3A4 (0.52) | CYP3A4ALDH1A1TSHRALOX15THRB | |
| SCHEMBL29393582 | 0.72 | MEN1 (0.57) | CYP3A4ALDH1A1TSHRCA1CA2 | |
| SCHEMBL77110 | 0.72 | MEN1 (0.57) | CYP3A4ALDH1A1TSHRCA1CA2 | |
| SCHEMBL28832700 | 0.72 | CYP3A4 (0.46) | CYP3A4ALDH1A1TSHRALOX15THRB |
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 |
|---|---|---|---|---|---|---|---|
| US-4550207-A | Process for the preparation of benzene compounds | BAYER AKTIENGESELLSCHAFT (DE) | 1985-10-29 | — | — | US | disclosed |