Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.54 |
| ▸ | KEAP1 | Q14145 | 1/20 | 0.52 |
| ▸ | FFAR1 | O14842 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.46 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.46 |
| ▸ | HDAC2 | Q92769 | 2/20 | 0.45 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.45 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.43 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL8053884 | 0.87 | HPGD (0.53) | ALDH1A1KEAP1FFAR1HPGDTDP1 | |
| SCHEMBL9427231 | 0.84 | ALDH1A1 (0.56) | ALDH1A1KEAP1FFAR1HPGDTDP1 | |
| SCHEMBL9427256 | 0.80 | ALDH1A1 (0.57) | ALDH1A1KEAP1FFAR1HPGDTDP1 | |
| SCHEMBL8579814 | 0.79 | CES2 (0.46) | ALDH1A1TDP1HDAC8HDAC6KMT2A | |
| SCHEMBL8668103 | 0.79 | CES2 (0.46) | ALDH1A1TDP1HDAC8HDAC6KMT2A | |
| SCHEMBL5316523 | 0.79 | HDAC1 (0.61) | ALDH1A1KEAP1FFAR1TDP1HDAC3 | |
| Phenyl Propionic Acid SCHEMBL23069541 | 0.78 | KEAP1 (0.79) | ALDH1A1KEAP1FFAR1HDAC3HDAC2 | |
| SCHEMBL4077641 | 0.78 | ALDH1A1 (0.61) | ALDH1A1KEAP1FFAR1HPGDTDP1 | |
| SCHEMBL12950241 | 0.78 | ALDH1A1 (0.61) | ALDH1A1KEAP1FFAR1HPGDTDP1 | |
| Hydrogen Peroxide SCHEMBL3918960 | 0.78 | TDP1 (0.57) | ALDH1A1KEAP1HPGDTDP1TP53 |
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-0758643-B1 | Process for the preparation of ortho-nitro-benzonitriles | CLARIANT GMBH (DE) | 2000-05-17 | — | — | EP | disclosed |
| EP-0758643-A2 | Process for the preparation of ortho-nitro-benzonitriles | HOECHST AKTIENGESELLSCHAFT (DE) | 1997-02-19 | — | — | EP | disclosed |