Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 3/20 | 0.45 |
| ▸ | LMNA | P02545 | 2/20 | 0.45 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.43 |
| ▸ | CA9 | Q16790 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
| ▸ | POLB | P06746 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | EHMT2 | Q96KQ7 | 1/20 | 0.39 |
| ▸ | EHMT1 | Q9H9B1 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL28721465 | 1.00 | ALDH1A1 (0.45) | ALDH1A1MAPTLMNAALOX15HTT | |
| SCHEMBL29612186 | 0.86 | CYP1A2 (0.46) | ALDH1A1MAPTLMNAHTTCYP1A2 | |
| SCHEMBL28722564 | 0.86 | CYP1A2 (0.46) | ALDH1A1MAPTLMNAHTTCYP1A2 | |
| SCHEMBL29612348 | 0.85 | KMT2A (0.50) | ALDH1A1MAPTHTTHSD17B10CYP1A2 | |
| SCHEMBL29612028 | 0.85 | ALDH1A1 (0.43) | ALDH1A1MAPTLMNAHSD17B10CA12 | |
| SCHEMBL28720262 | 0.85 | ALDH1A1 (0.43) | ALDH1A1MAPTLMNAHSD17B10CA12 | |
| SCHEMBL28722307 | 0.85 | KMT2A (0.50) | ALDH1A1MAPTHTTHSD17B10CYP1A2 | |
| SCHEMBL28724340 | 0.81 | NPC1 (0.56) | ALDH1A1MAPTCYP1A2CYP2C9KMT2A | |
| SCHEMBL29612033 | 0.81 | NPC1 (0.56) | ALDH1A1MAPTCYP1A2CYP2C9KMT2A | |
| SCHEMBL29612347 | 0.78 | CES2 (0.47) | ALDH1A1MAPTALOX15HSD17B10CYP1A2 |
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-114380733-B | Chiral beta-amino acid derivative and preparation method thereof | 常州大学 | 2024-01-26 | — | — | CN | disclosed |
| CN-114380733-A | Chiral beta-amino acid derivative and preparation method thereof | 常州大学 | 2022-04-22 | — | — | CN | disclosed |