Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RXRA | P19793 | 1/20 | 0.72 |
| ▸ | CA1 | P00915 | 2/20 | 0.52 |
| ▸ | CA2 | P00918 | 2/20 | 0.52 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 1/20 | 0.48 |
| ▸ | CA3 | P07451 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | CA4 | P22748 | 1/20 | 0.48 |
| ▸ | CA6 | P23280 | 1/20 | 0.48 |
| ▸ | CA5A | P35218 | 1/20 | 0.48 |
| ▸ | CA7 | P43166 | 1/20 | 0.48 |
| ▸ | CA9 | Q16790 | 1/20 | 0.48 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.48 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.48 |
| ▸ | ABL1 | P00519 | 1/20 | 0.48 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.48 |
| ▸ | BCR | P11274 | 1/20 | 0.48 |
| ▸ | STIM1 | Q13586 | 1/20 | 0.47 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.47 |
| ▸ | CYP1A1 | P04798 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL29572748 | 0.96 | RXRA (0.67) | RXRACA1CA2KDM4ECA12 | |
| SCHEMBL39734 | 0.87 | CA1 (0.60) | RXRACA1CA2KDM4ECA12 | |
| 3,5-Dimethoxybenzoic Acid SCHEMBL503889 | 0.87 | RXRA (0.64) | RXRACA1CA2KDM4ECA12 | |
| SCHEMBL25508690 | 0.85 | RXRA (0.58) | RXRACA1CA2KDM4ECA12 | |
| SCHEMBL14150399 | 0.85 | RXRA (0.69) | RXRACA1CA2STIM1ORAI1 | |
| SCHEMBL30420728 | 0.85 | RXRA (0.69) | RXRACA1CA2STIM1ORAI1 | |
| 3,5-Dimethoxybenzoic Acid SCHEMBL20592058 | 0.85 | RXRA (0.62) | RXRACA1CA2KDM4ECA12 | |
| Hydrochloric Acid SCHEMBL3361588 | 0.85 | CA1 (0.58) | RXRACA1CA2KDM4ECA12 | |
| 3,5-Dimethoxybenzoic Acid SCHEMBL5668197 | 0.85 | RXRA (0.62) | RXRACA1CA2KDM4ECA12 | |
| Hydrochloric Acid SCHEMBL19118500 | 0.85 | CA1 (0.58) | RXRACA1CA2KDM4ECA12 |
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-117049961-A | Yeast dehydrogenase inhibitor derivative and synthesis method thereof | 苏州君叶生物医药科技有限公司 | 2023-11-14 | — | — | CN | disclosed |