Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | THRB | P10828 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | TNF | P01375 | 1/20 | 0.41 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.41 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.41 |
| ▸ | CASP1 | P29466 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | KDR | P35968 | 1/20 | 0.41 |
| ▸ | BRCA1 | P38398 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
| ▸ | CASP7 | P55210 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL30419489 | 0.84 | PYGL (0.47) | ALDH1A1KDM4ECYP3A4KMT2APTGS2 | |
| SCHEMBL23809698 | 0.84 | PYGL (0.47) | ALDH1A1KDM4ECYP3A4KMT2APTGS2 | |
| SCHEMBL30032895 | 0.84 | PYGL (0.47) | ALDH1A1KDM4ECYP3A4KMT2APTGS2 | |
| SCHEMBL30031290 | 0.82 | KCNMA1 (0.47) | ALDH1A1MAPTKMT2APTGS2GAA | |
| SCHEMBL23796288 | 0.82 | KCNMA1 (0.47) | ALDH1A1MAPTKMT2APTGS2GAA | |
| SCHEMBL30032529 | 0.79 | CA1 (0.45) | ALDH1A1KDM4EMAPTCYP3A4KMT2A | |
| SCHEMBL24054614 | 0.78 | HDAC1 (0.43) | ALDH1A1KDM4EMAPTCYP3A4KMT2A | |
| SCHEMBL163610 | 0.76 | CA1 (0.59) | ALDH1A1KDM4EMAPTCYP3A4KMT2A | |
| SCHEMBL23796850 | 0.75 | KMT2A (0.49) | ALDH1A1MAPTKMT2AMEN1TDP1 | |
| SCHEMBL28569941 | 0.74 | ALDH1A1 (0.50) | ALDH1A1KDM4EMAPTCYP3A4KMT2A |
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-115279730-A | 2, 5-or 2, 6-disubstituted hydroquinone derivatives having at least one carboxyl, sulfo or amido group useful as medicaments | OM药物公司 | 2022-11-01 | — | — | CN | disclosed |