Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.59 |
| ▸ | DAO | P14920 | 1/20 | 0.59 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.59 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.56 |
| ▸ | CES2 | O00748 | 1/20 | 0.56 |
| ▸ | CES1 | P23141 | 1/20 | 0.56 |
| ▸ | RXRA | P19793 | 2/20 | 0.56 |
| ▸ | RARB | P10826 | 1/20 | 0.56 |
| ▸ | RARG | P13631 | 1/20 | 0.56 |
| ▸ | PTPRC | P08575 | 2/20 | 0.53 |
| ▸ | EGFR | P00533 | 1/20 | 0.53 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.52 |
| ▸ | BAD | Q92934 | 1/20 | 0.52 |
| ▸ | CA12 | O43570 | 1/20 | 0.52 |
| ▸ | CA1 | P00915 | 1/20 | 0.52 |
| ▸ | CA2 | P00918 | 1/20 | 0.52 |
| ▸ | CA9 | Q16790 | 1/20 | 0.52 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL31327313 | 1.00 | TSHR (0.59) | TSHRDAONAPRTTP53SRD5A2 | |
| SCHEMBL25390971 | 0.98 | TSHR (0.62) | TSHRDAONAPRTTP53SRD5A2 | |
| SCHEMBL36017 | 0.95 | TSHR (0.59) | TSHRDAONAPRTTP53SRD5A2 | |
| SCHEMBL28397371 | 0.93 | EGFR (0.62) | TSHRDAONAPRTTP53SRD5A2 | |
| Terephthalic Acid SCHEMBL9337978 | 0.90 | TSHR (0.72) | TSHRDAONAPRTTP53SRD5A2 | |
| SCHEMBL29111668 | 0.90 | PTPRC (0.65) | TSHRDAONAPRTSRD5A2CES2 | |
| SCHEMBL8923959 | 0.89 | CA12 (0.67) | TSHRDAONAPRTTP53SRD5A2 | |
| SCHEMBL2710776 | 0.88 | SRD5A2 (0.65) | SRD5A2RXRARARBRARGRXRB | |
| SCHEMBL28823644 | 0.88 | ALDH1A1 (0.52) | TSHRDAONAPRTTP53SRD5A2 | |
| SCHEMBL28365092 | 0.86 | NAPRT (0.59) | TSHRDAONAPRTSRD5A2CES2 |
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 |
|---|---|---|---|---|---|---|---|
| US-20240424488-A1 | High-Entropy Metal-Organic Frameworks | NATIONAL TECHNOLOGY & ENGINEERING SOLUTIONS OF SANDIA, LLC | 2024-12-26 | — | — | US | disclosed |