Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABL1 | P00519 | 4/20 | 0.53 |
| ▸ | BCR | P11274 | 4/20 | 0.53 |
| ▸ | ABCB1 | P08183 | 3/20 | 0.53 |
| ▸ | ESR1 | P03372 | 4/20 | 0.46 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.46 |
| ▸ | MGAM | O43451 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | TTR | P02766 | 2/20 | 0.42 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 2/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.42 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | NQO2 | P16083 | 1/20 | 0.42 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL29409811 | 1.00 | ABL1 (0.53) | ABL1BCRABCB1ESR1ESR2 | |
| SCHEMBL29409808 | 1.00 | ABL1 (0.53) | ABL1BCRABCB1ESR1ESR2 | |
| SCHEMBL22657846 | 1.00 | ABL1 (0.53) | ABL1BCRABCB1ESR1ESR2 | |
| SCHEMBL28768432 | 0.87 | ABL1 (0.50) | ABL1BCRABCB1ESR1ESR2 | |
| SCHEMBL18966088 | 0.82 | ABL1 (0.55) | ABL1BCRABCB1ESR1ESR2 | |
| SCHEMBL11504892 | 0.81 | POLB (0.55) | ABL1MGAMCYP3A4ALOX5MEN1 | |
| SCHEMBL21582176 | 0.81 | NQO2 (0.48) | ABL1BCRABCB1ESR1ESR2 | |
| Nudol SCHEMBL3971615 | 0.78 | TUBB4A (0.54) | ABL1BCRABCB1ESR1ESR2 | |
| Flavanthrinin SCHEMBL30544846 | 0.77 | ESR1 (0.51) | ABL1BCRABCB1ESR1ESR2 | |
| Flavanthrinin SCHEMBL29054933 | 0.77 | ESR1 (0.51) | ABL1BCRABCB1ESR1ESR2 |
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-113713046-A | Extract of Dendrobium candidum and application of two chemical components thereof as anti-inflammatory preparation | 中国热带农业科学院热带生物技术研究所 | 2021-11-30 | — | — | CN | disclosed |