Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.92 |
| ▸ | TDP1 | Q9NUW8 | 6/20 | 0.92 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.92 |
| ▸ | TSHR | P16473 | 5/20 | 0.69 |
| ▸ | GAA | P10253 | 1/20 | 0.58 |
| ▸ | THRB | P10828 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 1/20 | 0.55 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.53 |
| ▸ | ACHE | P22303 | 2/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.48 |
| ▸ | GPR35 | Q9HC97 | 3/20 | 0.47 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.47 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.47 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.47 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.47 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.47 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.47 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL85646 | 0.96 | ALDH1A1 (1.00) | ALDH1A1TDP1CYP3A4TSHRGAA | |
| Hydrochloric Acid SCHEMBL8873960 | 0.94 | ALDH1A1 (0.96) | ALDH1A1TDP1CYP3A4TSHRGAA | |
| Nitrogen SCHEMBL28729804 | 0.92 | ALDH1A1 (0.92) | ALDH1A1TDP1CYP3A4TSHRGAA | |
| Sulfuric Acid SCHEMBL10656288 | 0.91 | ALDH1A1 (0.82) | ALDH1A1TDP1CYP3A4TSHRGAA | |
| SCHEMBL4437873 | 0.82 | CYP3A4 (1.00) | ALDH1A1TDP1CYP3A4TSHRGAA | |
| SCHEMBL2313 | 0.82 | CYP3A4 (1.00) | ALDH1A1TDP1CYP3A4TSHRGAA | |
| 4-Chloro-2-Nitroaniline SCHEMBL11206094 | 0.80 | TDP1 (0.70) | ALDH1A1TDP1CYP3A4TSHRHTT | |
| Water SCHEMBL7777064 | 0.80 | CYP3A4 (0.96) | ALDH1A1TDP1CYP3A4TSHRGAA | |
| Hydrochloric Acid SCHEMBL27699078 | 0.80 | CYP3A4 (0.96) | ALDH1A1TDP1CYP3A4TSHRGAA | |
| Methylamine SCHEMBL11819150 | 0.79 | ALDH1A1 (0.91) | ALDH1A1TDP1CYP3A4TSHRGAA |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106053420-A | Detection method for 2-methyl-4-nitroaniline in waste water | 扬州大学 | 2016-10-26 | — | — | CN | disclosed |