Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRP | O00591 | 2/20 | 0.39 |
| ▸ | GABRD | O14764 | 2/20 | 0.39 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.39 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.39 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.39 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.39 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.39 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.39 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.39 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.39 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.39 |
| ▸ | GABRE | P78334 | 2/20 | 0.39 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.39 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.39 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.39 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 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 | |
|---|---|---|---|---|
| SCHEMBL30659718 | 0.84 | ALDH1A1 (0.44) | MAPTCYP3A4NQO1KMT2ALMNA | |
| SCHEMBL30659694 | 0.81 | CA12 (0.51) | PTGS2L3MBTL1NQO1KMT2AMEN1 | |
| SCHEMBL30659713 | 0.75 | NPC1 (0.44) | MAPTCYP3A4L3MBTL1KMT2AMEN1 | |
| SCHEMBL10603419 | 0.72 | ALDH1A1 (0.60) | CYP1A2CYP3A4CYP2C9L3MBTL1KMT2A | |
| SCHEMBL14424526 | 0.71 | GABRP (0.50) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL15842598 | 0.71 | GABRP (0.50) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL3918101 | 0.70 | KCNA3 (0.49) | NQO1 | |
| SCHEMBL17844932 | 0.70 | TNKS (0.40) | GABRPGABRDGABRA1GABRB1GABRG2 | |
| SCHEMBL30659739 | 0.70 | ALDH1A1 (0.66) | MAPTCYP1A2L3MBTL1KMT2AALDH1A1 | |
| SCHEMBL10602435 | 0.69 | HSD17B3 (0.53) | GABRPGABRDGABRA1GABRB1GABRG2 |
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 |