Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 1/20 | 0.94 |
| ▸ | IDO1 | P14902 | 1/20 | 0.57 |
| ▸ | AGXT | P21549 | 1/20 | 0.55 |
| ▸ | CA1 | P00915 | 5/20 | 0.50 |
| ▸ | CA2 | P00918 | 3/20 | 0.50 |
| ▸ | CA9 | Q16790 | 3/20 | 0.50 |
| ▸ | CA7 | P43166 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | TACR1 | P25103 | 2/20 | 0.48 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.46 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.46 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.46 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL27380 | 0.97 | TSHR (1.00) | TSHRIDO1AGXTCA1CA2 | |
| SCHEMBL5311581 | 0.97 | TSHR (1.00) | TSHRIDO1AGXTCA1CA2 | |
| Benzene SCHEMBL27997624 | 0.97 | TSHR (1.00) | TSHRIDO1AGXTCA1CA2 | |
| SCHEMBL1009266 | 0.94 | TSHR (0.94) | TSHRIDO1AGXTCA1CA2 | |
| SCHEMBL10317949 | 0.94 | TSHR (0.94) | TSHRIDO1AGXTCA1CA2 | |
| Calcium SCHEMBL2864550 | 0.94 | TSHR (0.94) | TSHRIDO1AGXTCA1CA2 | |
| Potassium SCHEMBL586337 | 0.94 | TSHR (0.94) | TSHRIDO1AGXTCA1CA2 | |
| SCHEMBL9725547 | 0.94 | TSHR (0.94) | TSHRIDO1AGXTCA1CA2 | |
| Water SCHEMBL15535487 | 0.94 | TSHR (0.94) | TSHRIDO1AGXTCA1CA2 | |
| SCHEMBL9491202 | 0.94 | TSHR (0.94) | TSHRIDO1AGXTCA1CA2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115557982-B | Carborane compound and preparation method and application thereof | 郑州原理生物科技有限公司 | 2024-11-08 | — | — | CN | disclosed |
| CN-115557982-A | Carborane compound and preparation method and application thereof | 郑州原理生物科技有限公司 | 2023-01-03 | — | — | CN | disclosed |
| US-4391827-A | 3-(2-Hydroxy-4-(substituted)phenyl)-cycloalkanone and cycloalkanol analgesic agents and intermediates therefor | PFIZER INC. (US) | 1983-07-05 | — | — | US | disclosed |
| US-4306097-A | 3-[2-Hydroxy-4-(substituted)phenyl]-cycloalkanol analgesic agents | PFIZER INC. (US) | 1981-12-15 | — | — | US | disclosed |