Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | IDO1 | P14902 | 3/20 | 0.43 |
| ▸ | AGXT | P21549 | 3/20 | 0.42 |
| ▸ | TSHR | P16473 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | CA2 | P00918 | 2/20 | 0.37 |
| ▸ | CA9 | Q16790 | 2/20 | 0.37 |
| ▸ | MAOB | P27338 | 1/20 | 0.37 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.33 |
| ▸ | HCAR2 | Q8TDS4 | 1/20 | 0.33 |
| ▸ | DAPK1 | P53355 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL641171 | 0.81 | IDO1 (0.43) | IDO1AGXTTSHRALDH1A1CA1 | |
| SCHEMBL6506525 | 0.81 | IDO1 (0.43) | IDO1AGXTTSHRALDH1A1MAOB | |
| SCHEMBL1068376 | 0.78 | IDO1 (0.41) | IDO1AGXTTSHRALDH1A1LMNA | |
| SCHEMBL1068374 | 0.78 | IDO1 (0.41) | IDO1AGXTTSHRALDH1A1LMNA | |
| SCHEMBL10875264 | 0.78 | TSHR (0.46) | IDO1AGXTTSHRALDH1A1CA1 | |
| SCHEMBL10875260 | 0.78 | TSHR (0.46) | IDO1AGXTTSHRALDH1A1CA1 | |
| SCHEMBL17269304 | 0.78 | MAOB (0.58) | IDO1AGXTTSHRALDH1A1CA1 | |
| SCHEMBL7717208 | 0.76 | IDO1 (0.46) | IDO1AGXTTSHRALDH1A1CA1 | |
| SCHEMBL738243 | 0.76 | IDO1 (0.46) | IDO1AGXTTSHRALDH1A1CA1 | |
| SCHEMBL675840 | 0.76 | IDO1 (0.46) | IDO1AGXTTSHRALDH1A1CA1 |
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-113583372-B | Preparation method and application of single molecular chain nano-particles | 中国科学院化学研究所 | 2022-04-01 | — | — | CN | disclosed |