Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.86 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.67 |
| ▸ | ESR1 | P03372 | 2/20 | 0.67 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.67 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.67 |
| ▸ | MEN1 | O00255 | 2/20 | 0.67 |
| ▸ | MAPT | P10636 | 1/20 | 0.67 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.56 |
| ▸ | ACHE | P22303 | 1/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.56 |
| ▸ | NPC1 | O15118 | 1/20 | 0.56 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.56 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.56 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.54 |
| ▸ | NOS1 | P29475 | 2/20 | 0.53 |
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 | |
|---|---|---|---|---|
| 4-Nitroaniline SCHEMBL8588517 | 0.96 | ALDH1A1 (0.78) | ALDH1A1KMT2AESR1CYP19A1ESR2 | |
| 4-Nitroaniline SCHEMBL4208296 | 0.93 | ALDH1A1 (0.90) | ALDH1A1KMT2AESR1CYP19A1ESR2 | |
| 4-Nitroaniline SCHEMBL13529022 | 0.93 | ALDH1A1 (1.00) | ALDH1A1KMT2AESR1CYP19A1ESR2 | |
| 4-Nitroaniline SCHEMBL27963818 | 0.93 | ALDH1A1 (1.00) | ALDH1A1KMT2AESR1CYP19A1ESR2 | |
| SCHEMBL9065915 | 0.93 | ALDH1A1 (1.00) | ALDH1A1KMT2AESR1CYP19A1ESR2 | |
| 4-Nitroaniline SCHEMBL16451 | 0.93 | ALDH1A1 (1.00) | ALDH1A1KMT2AESR1CYP19A1ESR2 | |
| 4-Nitroaniline SCHEMBL28935013 | 0.91 | ALDH1A1 (0.78) | ALDH1A1KMT2AESR1CYP19A1ESR2 | |
| 4-Nitroaniline SCHEMBL7158091 | 0.90 | ALDH1A1 (0.95) | ALDH1A1KMT2AESR1CYP19A1ESR2 | |
| 4-Nitroaniline SCHEMBL21825602 | 0.90 | ALDH1A1 (0.95) | ALDH1A1KMT2AESR1CYP19A1ESR2 | |
| 4-Nitroaniline SCHEMBL702809 | 0.90 | ALDH1A1 (0.95) | ALDH1A1KMT2AESR1CYP19A1ESR2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-115093330-B | Preparation method of p-phenylenediamine | 中化环境科技工程有限公司 | 2024-05-07 | — | — | CN | disclosed |
| CN-117466749-A | Method for preparing aromatic diamine from aromatic nitro compound | 宁夏信广和新材料科技有限公司 | 2024-01-30 | — | — | CN | disclosed |
| CN-115093330-A | Preparation method of p-phenylenediamine | 中化环境科技工程有限公司 | 2022-09-23 | — | — | CN | disclosed |