Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 7/20 | 0.44 |
| ▸ | RAB9A | P51151 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.42 |
| ▸ | HPGD | P15428 | 5/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.42 |
| ▸ | GLA | P06280 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 1/20 | 0.42 |
| ▸ | CASP1 | P29466 | 1/20 | 0.42 |
| ▸ | CASP7 | P55210 | 1/20 | 0.42 |
| ▸ | CA9 | Q16790 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 4/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL30659718 | 0.88 | ALDH1A1 (0.44) | ALDH1A1HPGDKDM4EHSD17B10KMT2A | |
| SCHEMBL30659694 | 0.82 | CA12 (0.51) | ALDH1A1CA12CA1CA9MEN1 | |
| SCHEMBL23332346 | 0.80 | ALDH1A1 (0.61) | NPC1RAB9AALDH1A1HPGDKDM4E | |
| SCHEMBL6337378 | 0.76 | CYP2A6 (0.55) | NPC1RAB9AALDH1A1HPGDKDM4E | |
| SCHEMBL29132410 | 0.75 | GABRP (0.39) | NPC1RAB9AALDH1A1HPGDKDM4E | |
| SCHEMBL7046774 | 0.73 | ALDH1A1 (0.66) | NPC1RAB9AALDH1A1HPGDKDM4E | |
| SCHEMBL14424517 | 0.72 | CA12 (0.61) | NPC1RAB9AALDH1A1HPGDKDM4E | |
| SCHEMBL724134 | 0.72 | ALDH1A1 (0.68) | ALDH1A1HPGDKDM4EHSD17B10GLA | |
| SCHEMBL2053821 | 0.71 | NQO1 (0.58) | NPC1RAB9AALDH1A1HPGDKDM4E | |
| Hydrochloric Acid SCHEMBL30117164 | 0.71 | ALDH1A1 (0.66) | ALDH1A1HPGDKDM4EHSD17B10GLA |
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-115057850-B | Aloe-emodin derivative and preparation method and application thereof | 中国医学科学院药用植物研究所 | 2023-11-10 | — | — | CN | disclosed |