Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 1/20 | 0.35 |
| ▸ | USP7 | Q93009 | 1/20 | 0.34 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.32 |
| ▸ | HPGD | P15428 | 2/20 | 0.32 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | USP2 | O75604 | 1/20 | 0.32 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.32 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5515820 | 0.86 | GLA (0.34) | CA12CA1CA9CA2CA7 | |
| SCHEMBL29962951 | 0.76 | PTPN5 (0.48) | BACE1ALDH1A1HSD17B10KDM4EHPGD | |
| SCHEMBL5520140 | 0.75 | HSD17B10 (0.33) | CA12CA1CA9CA2CA7 | |
| SCHEMBL9963466 | 0.74 | IDO1 (0.33) | ALDH1A1HSD17B10KDM4EALOX15MEN1 | |
| SCHEMBL28577674 | 0.72 | NR4A1 (0.42) | ALDH1A1HSD17B10KDM4EALOX15MEN1 | |
| SCHEMBL5515894 | 0.72 | CA12 (0.37) | CA12CA1CA9CA2CA7 | |
| SCHEMBL17914242 | 0.72 | KDM4E (0.44) | CA12CA1CA9CA2CA7 | |
| SCHEMBL759007 | 0.70 | CA12 (0.41) | CA12CA1CA9BACE1PTGS1 | |
| SCHEMBL395557 | 0.70 | KIF11 (0.39) | CA12CA1CA9BACE1PTGS1 | |
| SCHEMBL9769151 | 0.70 | VRK1 (0.33) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112824435-A | High-regularity thermoplastic polyurethane material and preparation method thereof | 北京化工大学 | 2021-05-21 | — | — | CN | claimed |
| CN-113831493-B | Self-repairing polyurethane elastomer containing six-fold intermolecular hydrogen bonds and preparation method thereof | 中国科学院宁波材料技术与工程研究所 | 2023-07-18 | — | — | CN | disclosed |
| CN-112824435-A | High-regularity thermoplastic polyurethane material and preparation method thereof | 北京化工大学 | 2021-05-21 | — | — | CN | disclosed |