Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 4/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.37 |
| ▸ | CD44 | P16070 | 1/20 | 0.35 |
| ▸ | MMP14 | P50281 | 1/20 | 0.35 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.34 |
| ▸ | CA2 | P00918 | 5/20 | 0.34 |
| ▸ | CA1 | P00915 | 4/20 | 0.34 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | CA12 | O43570 | 2/20 | 0.34 |
| ▸ | CA7 | P43166 | 2/20 | 0.34 |
| ▸ | CA9 | Q16790 | 2/20 | 0.34 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | PKM | P14618 | 1/20 | 0.34 |
| ▸ | RECQL | P46063 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10597618 | 0.98 | GAA (0.36) | GAATHRBCD44MMP14HPGD | |
| SCHEMBL23542368 | 0.79 | HSD17B10 (0.39) | HPGDTSHRHSD17B10CASP1ALDH1A1 | |
| SCHEMBL11215289 | 0.73 | HSD17B10 (0.43) | THRBHPGDTSHRHSD17B10CASP1 | |
| SCHEMBL11155205 | 0.73 | HSD17B10 (0.59) | GAATHRBCD44MMP14HPGD | |
| SCHEMBL31532309 | 0.72 | CD44 (0.44) | GAATHRBCD44MMP14HPGD | |
| SCHEMBL2527588 | 0.72 | CD44 (0.44) | GAATHRBCD44MMP14HPGD | |
| Hydrochloric Acid SCHEMBL3843541 | 0.71 | ALDH1A1 (0.44) | GAATHRBCD44MMP14HPGD | |
| SCHEMBL5526674 | 0.70 | THRB (0.46) | GAATHRBMMP14HPGDTSHR | |
| SCHEMBL8075508 | 0.69 | GABRA1 (0.39) | GAATHRBCD44MMP14HPGD | |
| SCHEMBL10599169 | 0.69 | GPR35 (0.56) | HPGDTSHRHSD17B10ALDH1A1MAPT |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0175151-B1 | 2,4-DICHLORO-3-ALKYL-6-NITROPHENOLS AND PROCESS FOR THEIR PREPARATION | BAYER AG (DE) | 1989-01-18 | — | — | EP | disclosed |
| US-4670608-A | CATALYTIC CHLORINATION OF 1-ALKYL-4-NITROBENZENE | BAYER AKTIENGESELLSCHAFT (DE) | 1987-06-02 | — | — | US | disclosed |
| EP-0175151-A1 | 2,4-Dichloro-3-alkyl-6-nitrophenols and process for their preparation | BAYER AG (DE) | 1986-03-26 | — | — | EP | disclosed |