Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.47 |
| ▸ | MMP2 | P08253 | 2/20 | 0.46 |
| ▸ | MMP9 | P14780 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.39 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.39 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.39 |
| ▸ | PLIN1 | O60240 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.38 |
| ▸ | PLIN5 | Q00G26 | 1/20 | 0.38 |
| ▸ | ABHD5 | Q8WTS1 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL29236568 | 1.00 | ALDH1A1 (0.47) | ALDH1A1MMP2MMP9KMT2AMAPK1 | |
| SCHEMBL29236534 | 0.84 | ALDH1A1 (0.51) | ALDH1A1KMT2AMAPK1MAPTHPGD | |
| SCHEMBL29236536 | 0.84 | ALDH1A1 (0.51) | ALDH1A1KMT2AMAPK1MAPTHPGD | |
| SCHEMBL9773949 | 0.82 | ALDH1A1 (0.56) | ALDH1A1KMT2AMAPK1MAPTRAB9A | |
| SCHEMBL24032681 | 0.82 | MMP2 (0.51) | ALDH1A1MMP2MMP9KMT2AMAPK1 | |
| SCHEMBL29236538 | 0.81 | RPS6KA2 (0.52) | ALDH1A1MMP2MMP9KMT2AMAPK1 | |
| SCHEMBL29236539 | 0.81 | RPS6KA2 (0.52) | ALDH1A1MMP2MMP9KMT2AMAPK1 | |
| SCHEMBL29236527 | 0.80 | CASP3 (0.53) | ALDH1A1KMT2AMAPK1MAPTRAB9A | |
| SCHEMBL29236529 | 0.80 | CASP3 (0.53) | ALDH1A1KMT2AMAPK1MAPTRAB9A | |
| SCHEMBL24032602 | 0.80 | MMP2 (0.44) | ALDH1A1MMP2MMP9KMT2AMAPT |
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 |