Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | AGTR1 | P30556 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 5/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | LMNA | P02545 | 1/20 | 0.49 |
| ▸ | FFAR1 | O14842 | 3/20 | 0.49 |
| ▸ | FFAR4 | Q5NUL3 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | MITF | O75030 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | PTPN1 | P18031 | 2/20 | 0.46 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.46 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.46 |
| ▸ | CA1 | P00915 | 1/20 | 0.45 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL658053 | 0.89 | LMNA (0.54) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| Benzene SCHEMBL28330086 | 0.87 | LMNA (0.53) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| Hydrochloric Acid SCHEMBL76327 | 0.87 | LMNA (0.53) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL28250670 | 0.85 | POLB (0.58) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| Sulfur Dioxide SCHEMBL28176580 | 0.84 | LMNA (0.50) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL9080144 | 0.83 | LIPG (0.46) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL11650926 | 0.83 | ALDH1A1 (0.47) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL8009658 | 0.83 | HPGD (0.58) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| Sulfuric Acid SCHEMBL5004844 | 0.82 | ALDH1A1 (0.49) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD | |
| SCHEMBL460030 | 0.82 | ALDH1A1 (0.49) | ALDH1A1RAB9ANPC1SMN1; SMN2HPGD |
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-112125824-B | Synthetic method of alpha-cyanoglycine compound | 西北师范大学（CN） | 2023-01-13 | — | — | CN | disclosed |
| CN-112125824-A | Synthetic method of alpha-cyanoglycine compound | 西北师范大学 | 2020-12-25 | — | — | CN | disclosed |
| CN-109467514-B | Synthetic method of alpha-amino-gamma-carbonyl pimelate compound | 西北师范大学 | 2020-11-24 | — | — | CN | disclosed |