Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.65 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.50 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.47 |
| ▸ | AHR | P35869 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | FBP1 | P09467 | 2/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.37 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| Hydrogen Sulfide SCHEMBL10800730 | 1.00 | ALDH1A1 (0.65) | ALDH1A1HSD17B10TSHRLMNACYP2A6 | |
| SCHEMBL678585 | 0.97 | ALDH1A1 (0.69) | ALDH1A1HSD17B10TSHRLMNACYP2A6 | |
| SCHEMBL14902 | 0.97 | — | — | |
| SCHEMBL3763847 | 0.94 | ALDH1A1 (0.65) | ALDH1A1HSD17B10TSHRLMNACYP2A6 | |
| SCHEMBL10545661 | 0.94 | ALDH1A1 (0.65) | ALDH1A1HSD17B10TSHRLMNACYP2A6 | |
| Fluoride SCHEMBL28174807 | 0.94 | ALDH1A1 (0.65) | ALDH1A1HSD17B10TSHRLMNACYP2A6 | |
| Vinyl Chloride SCHEMBL17390782 | 0.92 | ALDH1A1 (0.61) | ALDH1A1HSD17B10TSHRLMNACYP2A6 | |
| Methylamine SCHEMBL7516867 | 0.89 | ALDH1A1 (0.58) | ALDH1A1HSD17B10TSHRLMNACYP2A6 | |
| SCHEMBL4214945 | 0.89 | ALDH1A1 (0.58) | ALDH1A1HSD17B10TSHRLMNACYP2A6 | |
| Methyl Alcohol SCHEMBL27519849 | 0.89 | ALDH1A1 (0.58) | ALDH1A1HSD17B10TSHRLMNACYP2A6 |
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-114957016-A | Synthesis method of o-diamine compound | 江南大学 | 2022-08-30 | — | — | CN | disclosed |