Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Dinitrophenylene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.46 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.46 |
| ▸ | CA4 | P22748 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | CA7 | P43166 | 1/20 | 0.46 |
| ▸ | CA9 | Q16790 | 1/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | KCNMA1 | Q12791 | 2/20 | 0.45 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Dinitrophenylene SCHEMBL27633736 | 0.88 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2HSP90AA1KDM4ECA12 | |
| SCHEMBL27684692 | 0.79 | ALOX5 (0.47) | ALDH1A1SMN1; SMN2KDM4EHPGDTP53 | |
| Salicylic Acid SCHEMBL27624714 | 0.77 | ALDH1A1 (0.67) | ALDH1A1SMN1; SMN2KDM4ECA12CA1 | |
| Salicylic Acid SCHEMBL11842213 | 0.76 | SMN1; SMN2 (0.56) | ALDH1A1SMN1; SMN2KDM4ECA12CA1 | |
| Phthalic Acid SCHEMBL28105292 | 0.73 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2KDM4ECA12CA1 | |
| Dinitrophenylene SCHEMBL27691692 | 0.73 | TSHR (0.74) | ALDH1A1SMN1; SMN2HSP90AA1HPGDTP53 | |
| Salicylic Acid SCHEMBL8157144 | 0.72 | ALDH1A1 (0.75) | ALDH1A1SMN1; SMN2KDM4ECA12CA1 | |
| Salicylic Acid SCHEMBL28475198 | 0.72 | ALDH1A1 (0.75) | ALDH1A1SMN1; SMN2KDM4ECA12CA1 | |
| Salicylic Acid SCHEMBL8157148 | 0.72 | ALDH1A1 (0.75) | ALDH1A1SMN1; SMN2KDM4ECA12CA1 | |
| 4-Nitrobenzoic Acid SCHEMBL8742978 | 0.72 | TDP1 (0.68) | ALDH1A1SMN1; SMN2KDM4ECA12CA1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101050453-B | Warm start high temperature resistant DNA polymerase, and preparation method | ZHONGDE MEILIAN BIOTECH CO LTD WUXI | 2010-06-30 | — | — | CN | disclosed |
| CN-101050453-A | Warm start high temperature resistant DNA polymerase, and preparation method | ZHONGDE MEILIAN BIOTECH CO LTD (CN) | 2007-10-10 | — | — | CN | disclosed |