Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP3 | P42574 | 1/20 | 0.53 |
| ▸ | IDO1 | P14902 | 2/20 | 0.51 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.50 |
| ▸ | RPS6KA2 | Q15349 | 1/20 | 0.50 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 2/20 | 0.49 |
| ▸ | PKM | P14618 | 1/20 | 0.49 |
| ▸ | TSHR | P16473 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 2/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL29236527 | 1.00 | CASP3 (0.53) | CASP3IDO1ALDH1A1RPS6KA2HSD17B10 | |
| SCHEMBL9773949 | 0.86 | ALDH1A1 (0.56) | CASP3ALDH1A1TSHRRAB9AKMT2A | |
| SCHEMBL29236536 | 0.85 | ALDH1A1 (0.51) | ALDH1A1RPS6KA2PKMTSHRKMT2A | |
| SCHEMBL29236534 | 0.85 | ALDH1A1 (0.51) | ALDH1A1RPS6KA2PKMTSHRKMT2A | |
| SCHEMBL7347524 | 0.84 | ALDH1A1 (0.60) | CASP3ALDH1A1RPS6KA2HSD17B10POLB | |
| SCHEMBL19329978 | 0.82 | ALDH1A1 (0.48) | CASP3ALDH1A1RPS6KA2HSD17B10POLB | |
| SCHEMBL20838349 | 0.82 | ALDH1A1 (0.48) | CASP3ALDH1A1RPS6KA2HSD17B10POLB | |
| SCHEMBL29236538 | 0.81 | RPS6KA2 (0.52) | ALDH1A1RPS6KA2RAB9ANPC1KDM4E | |
| SCHEMBL29236539 | 0.81 | RPS6KA2 (0.52) | ALDH1A1RPS6KA2RAB9ANPC1KDM4E | |
| SCHEMBL2564111 | 0.81 | CASP3 (0.53) | CASP3ALDH1A1RPS6KA2HSD17B10POLB |
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-118184477-A | Method for preparing chiral amino alcohol compound by catalyzing amino ketone with nickel metal by using water as hydrogen source | 云南民族大学 | 2024-06-14 | — | — | CN | disclosed |