Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.55 |
| ▸ | NPC1 | O15118 | 3/20 | 0.55 |
| ▸ | RAB9A | P51151 | 3/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.55 |
| ▸ | TP53 | P04637 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 2/20 | 0.55 |
| ▸ | CES2 | O00748 | 1/20 | 0.53 |
| ▸ | CES1 | P23141 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | LMNA | P02545 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | GLA | P06280 | 1/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 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 | |
|---|---|---|---|---|
| SCHEMBL27552030 | 0.85 | GAA (0.69) | ALDH1A1SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL19357175 | 0.84 | PHGDH (0.59) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL3700972 | 0.83 | GAA (0.72) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL1567500 | 0.81 | CES2 (0.53) | ALDH1A1SMN1; SMN2NPC1RAB9ACES2 | |
| SCHEMBL3636817 | 0.75 | L3MBTL3 (0.50) | ALDH1A1SMN1; SMN2NPC1RAB9AMAPT | |
| SCHEMBL10577067 | 0.74 | SMN1; SMN2 (0.53) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL10577063 | 0.74 | SMN1; SMN2 (0.53) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL1567538 | 0.74 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL8386522 | 0.73 | PHGDH (0.70) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD | |
| SCHEMBL1066873 | 0.72 | CES2 (1.00) | ALDH1A1SMN1; SMN2NPC1RAB9AHPGD |
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-113248458-B | Preparation method of alpha-carbonyl amide compound | 陕西省煤田地质集团有限公司 | 2022-09-27 | — | — | CN | disclosed |
| CN-113248458-A | Preparation method of alpha-carbonyl amide compound | 陕西省煤田地质集团有限公司 | 2021-08-13 | — | — | CN | disclosed |