Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.69 |
| ▸ | POLB | P06746 | 2/20 | 0.59 |
| ▸ | CASP6 | P55212 | 1/20 | 0.59 |
| ▸ | LMNA | P02545 | 2/20 | 0.54 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.51 |
| ▸ | RXRA | P19793 | 2/20 | 0.50 |
| ▸ | RXRB | P28702 | 1/20 | 0.50 |
| ▸ | RXRG | P48443 | 1/20 | 0.50 |
| ▸ | MRGPRX4 | Q96LA9 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
| ▸ | CA1 | P00915 | 1/20 | 0.49 |
| ▸ | CA2 | P00918 | 1/20 | 0.49 |
| ▸ | CA4 | P22748 | 1/20 | 0.49 |
| ▸ | CA6 | P23280 | 1/20 | 0.49 |
| ▸ | CA7 | P43166 | 1/20 | 0.49 |
| ▸ | TPMT | P51580 | 1/20 | 0.49 |
| ▸ | CA9 | Q16790 | 1/20 | 0.49 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL7089045 | 0.94 | TSHR (0.65) | TSHRPOLBCASP6LMNAMAPK1 | |
| SCHEMBL3545163 | 0.87 | KMT2A (0.58) | TSHRLMNAMAPK1RXRARXRB | |
| SCHEMBL177424 | 0.87 | TSHR (0.83) | TSHRPOLBCASP6LMNAMAPK1 | |
| SCHEMBL29882038 | 0.87 | TSHR (0.83) | TSHRPOLBCASP6LMNAMAPK1 | |
| SCHEMBL15521555 | 0.87 | ALDH1A1 (0.54) | TSHRPOLBCASP6ALDH1A1 | |
| SCHEMBL9426701 | 0.83 | TSHR (0.78) | TSHRPOLBCASP6LMNAMAPK1 | |
| SCHEMBL17037217 | 0.82 | MRGPRX4 (0.56) | POLBRXRARXRBRXRGMRGPRX4 | |
| SCHEMBL566581 | 0.82 | TSHR (1.00) | TSHRPOLBCASP6LMNAMAPK1 | |
| SCHEMBL3924278 | 0.82 | CA12 (0.73) | TSHRLMNAMAPK1KMT2ACA12 | |
| SCHEMBL23793741 | 0.81 | TSHR (0.64) | TSHRPOLBCASP6LMNARXRA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115073329-B | Novel leonurine derivative and preparation method and application thereof | 中国海洋大学 | 2024-01-26 | — | — | CN | disclosed |
| CN-115068462-A | Application of novel leonurine marine derivative in preparation of medicines for preventing and treating inflammatory diseases or allergy | 中国海洋大学 | 2022-09-20 | — | — | CN | disclosed |
| CN-115073329-A | Novel leonurine derivative and preparation method and application thereof | 中国海洋大学 | 2022-09-20 | — | — | CN | disclosed |