Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | RAB9A | P51151 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | STAT6 | P42226 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
| ▸ | PHLPP2 | Q6ZVD8 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.46 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | APEX1 | P27695 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL11424411 | 0.78 | ALDH1A1 (0.62) | ALDH1A1CYP3A4TSHRNPC1RAB9A | |
| SCHEMBL9344552 | 0.78 | ALDH1A1 (0.50) | ALDH1A1CYP3A4TSHRNPC1RAB9A | |
| SCHEMBL11515026 | 0.76 | ALDH1A1 (0.56) | ALDH1A1CYP3A4TSHRNPC1RAB9A | |
| SCHEMBL7435273 | 0.75 | BCL2 (0.63) | ALDH1A1CYP3A4TSHRNPC1RAB9A | |
| SCHEMBL28076384 | 0.75 | MAPT (0.49) | ALDH1A1CYP3A4TSHRNPC1RAB9A | |
| SCHEMBL5198467 | 0.75 | TSHR (0.55) | ALDH1A1CYP3A4TSHRNPC1RAB9A | |
| SCHEMBL8893098 | 0.75 | CYP3A4 (0.59) | ALDH1A1CYP3A4TSHRNPC1RAB9A | |
| SCHEMBL9344547 | 0.74 | MAPT (0.55) | ALDH1A1CYP3A4TSHRNPC1RAB9A | |
| SCHEMBL11314322 | 0.73 | MAOA (0.53) | ALDH1A1CYP3A4TSHRNPC1RAB9A | |
| SCHEMBL27933801 | 0.73 | BCL2 (0.44) | ALDH1A1MAPTPOLBBCL2MCL1 |
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-105753712-A | Synthesis method for 1-nitro-2,3-dibromo-4-hydroxyanthraquinone | 常州大学 | 2016-07-13 | — | — | CN | claimed |
| CN-105753712-A | Synthesis method for 1-nitro-2,3-dibromo-4-hydroxyanthraquinone | 常州大学 | 2016-07-13 | — | — | CN | disclosed |
| CN-105753712-A | Synthesis method for 1-nitro-2,3-dibromo-4-hydroxyanthraquinone | 常州大学 | 2016-07-13 | — | — | CN | disclosed |