Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.56 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.56 |
| ▸ | TP53 | P04637 | 1/20 | 0.56 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 4/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.46 |
| ▸ | PTPN5 | P54829 | 1/20 | 0.46 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.46 |
| ▸ | EPHX1 | P07099 | 5/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL3051191 | 0.95 | ALDH1A1 (0.64) | SMN1; SMN2ALDH1A1CYP3A4TP53LMNA | |
| SCHEMBL27469055 | 0.92 | ALDH1A1 (0.61) | SMN1; SMN2ALDH1A1CYP3A4TP53LMNA | |
| SCHEMBL11483970 | 0.92 | ALDH1A1 (0.61) | SMN1; SMN2ALDH1A1CYP3A4TP53LMNA | |
| SCHEMBL5543349 | 0.86 | SMN1; SMN2 (0.50) | SMN1; SMN2ALDH1A1CYP3A4TP53LMNA | |
| Cyclohexylamine SCHEMBL11174371 | 0.84 | ALDH1A1 (0.52) | SMN1; SMN2ALDH1A1CYP3A4TP53LMNA | |
| SCHEMBL11250337 | 0.80 | KMT2A (0.49) | SMN1; SMN2ALDH1A1CYP3A4TP53LMNA | |
| SCHEMBL3078931 | 0.73 | ALDH1A1 (0.50) | SMN1; SMN2ALDH1A1CYP3A4TP53LMNA | |
| SCHEMBL3075946 | 0.72 | ALDH1A1 (0.70) | SMN1; SMN2ALDH1A1CYP3A4TP53LMNA | |
| SCHEMBL491492 | 0.72 | ALDH1A1 (1.00) | SMN1; SMN2ALDH1A1CYP3A4TP53LMNA | |
| SCHEMBL11842060 | 0.72 | ALDH1A1 (1.00) | SMN1; SMN2ALDH1A1CYP3A4TP53LMNA |
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-111018760-B | Method for preparing crystal-form thioamino carboxylate by taking secondary amine as raw material | 鹤壁元昊化工有限公司 | 2020-12-11 | — | — | CN | disclosed |
| CN-111018760-A | Method for preparing crystal-form thioamino carboxylate by taking secondary amine as raw material | 鹤壁元昊化工有限公司 | 2020-04-17 | — | — | CN | disclosed |