Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PPARD | Q03181 | 6/20 | 0.45 |
| ▸ | PTGER1 | P34995 | 1/20 | 0.43 |
| ▸ | MRGPRX4 | Q96LA9 | 4/20 | 0.43 |
| ▸ | PPARA | Q07869 | 2/20 | 0.42 |
| ▸ | RXRA | P19793 | 1/20 | 0.42 |
| ▸ | RXRB | P28702 | 1/20 | 0.42 |
| ▸ | RXRG | P48443 | 1/20 | 0.42 |
| ▸ | PTGER4 | P35408 | 1/20 | 0.41 |
| ▸ | MMP12 | P39900 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | MMP1 | P03956 | 1/20 | 0.39 |
| ▸ | MMP2 | P08253 | 1/20 | 0.39 |
| ▸ | MMP9 | P14780 | 1/20 | 0.39 |
| ▸ | MMP14 | P50281 | 1/20 | 0.39 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL30866176 | 0.92 | MRGPRX4 (0.47) | PPARDPTGER1MRGPRX4PPARARXRA | |
| SCHEMBL30866200 | 0.89 | PPARD (0.44) | PPARDPTGER1MRGPRX4PPARARXRA | |
| SCHEMBL30866175 | 0.78 | MRGPRX4 (0.48) | PPARDMRGPRX4PPARA | |
| SCHEMBL30866170 | 0.74 | MRGPRX4 (0.47) | PPARDMRGPRX4PPARARXRARXRB | |
| SCHEMBL2536628 | 0.72 | FFAR1 (0.53) | PPARDPTGER1RXRGPTGER4MMP12 | |
| SCHEMBL20197040 | 0.71 | PPARD (0.54) | PPARDPTGER1MRGPRX4RXRARXRB | |
| SCHEMBL14437997 | 0.71 | MAOB (0.54) | MRGPRX4MMP1MMP2MMP9MMP14 | |
| SCHEMBL30866194 | 0.71 | TXNRD1 (0.40) | MRGPRX4 | |
| SCHEMBL2540951 | 0.71 | PTGER4 (0.50) | PPARDPTGER1PTGER4MMP12 | |
| SCHEMBL2540953 | 0.71 | PTGER4 (0.50) | PPARDPTGER1PTGER4MMP12 |
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-117843515-A | Aromatic amino acid derivative as LAT1 inhibitor and preparation method and application thereof | 中国药科大学 | 2024-04-09 | — | — | CN | disclosed |