Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.35 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.35 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.34 |
| ▸ | MAPT | P10636 | 3/20 | 0.34 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | HPGD | P15428 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.34 |
| ▸ | ABL1 | P00519 | 1/20 | 0.34 |
| ▸ | POLB | P06746 | 1/20 | 0.34 |
| ▸ | CA12 | O43570 | 3/20 | 0.33 |
| ▸ | CA9 | Q16790 | 3/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9510033 | 0.86 | GAA (0.37) | GAAALDH1A1NR4A2CYP3A4MAPT | |
| SCHEMBL9510067 | 0.82 | AHR (0.35) | CYP3A4MEN1KMT2AHPGDFLT1 | |
| SCHEMBL9511428 | 0.75 | GAA (0.36) | GAAALDH1A1MAPTHSD17B10MEN1 | |
| SCHEMBL9508182 | 0.74 | ALDH1A1 (0.38) | GAAALDH1A1MAPTHSD17B10MEN1 | |
| SCHEMBL9511203 | 0.73 | AHR (0.34) | FLT1AHR | |
| SCHEMBL9511341 | 0.69 | AHR (0.50) | ALDH1A1CYP3A4HSD17B10HPGDMAPK1 | |
| SCHEMBL522450 | 0.69 | GAA (0.49) | GAANR4A2CYP3A4HSD17B10MEN1 | |
| SCHEMBL8513199 | 0.69 | CA12 (0.42) | GAAALDH1A1NR4A2CYP3A4HSD17B10 | |
| SCHEMBL6308926 | 0.69 | AHR (0.42) | FLT1AHR | |
| SCHEMBL5542753 | 0.68 | KMT2A (0.53) | GAAALDH1A1CYP3A4MAPTHSD17B10 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0399293-B1 | PROCESS FOR PREPARING 2-CHLORO-4-NITRO-ALKYLBENZENE | BAYER AG (DE) | 1993-09-01 | — | — | EP | disclosed |
| US-5095157-A | Friedel-crafts catalyst | BAYER AKTIENGESELLSCHAFT (DE) | 1992-03-10 | — | — | US | disclosed |