Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | PRKDC | P78527 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.42 |
| ▸ | NR2E3 | Q9Y5X4 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 2/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | NQO1 | P15559 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL30659713 | 0.88 | NPC1 (0.44) | ALDH1A1SMN1; SMN2KMT2AKDM4EHSD17B10 | |
| SCHEMBL29132410 | 0.84 | GABRP (0.39) | ALDH1A1LMNASMN1; SMN2KMT2AKDM4E | |
| SCHEMBL30659694 | 0.82 | CA12 (0.51) | ALDH1A1KMT2ATSHRTP53NQO1 | |
| SCHEMBL3212752 | 0.80 | ALDH1A1 (0.53) | ALDH1A1LMNASMN1; SMN2PRKDCKMT2A | |
| SCHEMBL30659739 | 0.73 | ALDH1A1 (0.66) | ALDH1A1SMN1; SMN2KMT2AKDM4EHSD17B10 | |
| SCHEMBL67818 | 0.72 | ALDH1A1 (0.64) | ALDH1A1LMNASMN1; SMN2PRKDCKDM4E | |
| SCHEMBL30636721 | 0.72 | ALDH1A1 (0.64) | ALDH1A1LMNASMN1; SMN2PRKDCKDM4E | |
| SCHEMBL5671449 | 0.71 | MAOB (0.45) | ALDH1A1LMNASMN1; SMN2PRKDCKMT2A | |
| SCHEMBL3918826 | 0.71 | KCNA3 (0.49) | ALDH1A1LMNASMN1; SMN2PRKDCKMT2A | |
| SCHEMBL11828153 | 0.71 | NQO1 (0.58) | ALDH1A1LMNASMN1; SMN2PRKDCKMT2A |
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 |