Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RET | P07949 | 2/20 | 0.68 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | CA1 | P00915 | 2/20 | 0.56 |
| ▸ | CA2 | P00918 | 2/20 | 0.56 |
| ▸ | CYP3A4 | P08684 | 5/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.51 |
| ▸ | MEN1 | O00255 | 3/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 3/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | USP2 | O75604 | 1/20 | 0.51 |
| ▸ | FTO | Q9C0B1 | 1/20 | 0.51 |
| ▸ | TNKS | O95271 | 1/20 | 0.51 |
| ▸ | TP53 | P04637 | 4/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.50 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | DDR2 | Q16832 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL28356501 | 0.87 | RET (0.58) | RETADORA3ALDH1A1CA1CA2 | |
| SCHEMBL1423181 | 0.87 | KMT2A (0.65) | RETADORA3ALDH1A1CA1CA2 | |
| SCHEMBL28555552 | 0.84 | CYP3A4 (0.51) | RETADORA3ALDH1A1CA1CA2 | |
| SCHEMBL28558724 | 0.84 | MAPK14 (0.62) | RETADORA3ALDH1A1CA1CA2 | |
| SCHEMBL29129513 | 0.81 | RET (0.68) | RETADORA3ALDH1A1CA1CA2 | |
| SCHEMBL30807179 | 0.81 | CYP3A4 (0.77) | RETADORA3ALDH1A1CA1CA2 | |
| SCHEMBL6982123 | 0.81 | KDM4E (0.55) | RETADORA3ALDH1A1CA1CA2 | |
| SCHEMBL6978848 | 0.80 | PTGS2 (0.59) | RETADORA3ALDH1A1CA1CA2 | |
| SCHEMBL28429303 | 0.78 | RET (0.63) | RETADORA3ALDH1A1CA1CA2 | |
| SCHEMBL28466562 | 0.76 | RET (0.60) | RETADORA3ALDH1A1CA1CA2 |
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-108976248-B | Heterocyclic ring-containing high-valence iodine compound and preparation method and application thereof | 中山大学肿瘤防治中心（中山大学附属肿瘤医院、中山大学肿瘤研究所） | 2021-04-16 | — | — | CN | disclosed |