Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTPN1 | P18031 | 1/20 | 0.65 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.49 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.49 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.48 |
| ▸ | TTR | P02766 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA12 | O43570 | 1/20 | 0.45 |
| ▸ | CA3 | P07451 | 1/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA6 | P23280 | 1/20 | 0.45 |
| ▸ | CA5A | P35218 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | CA9 | Q16790 | 1/20 | 0.45 |
| ▸ | CA13 | Q8N1Q1 | 1/20 | 0.45 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.45 |
| ▸ | CA5B | Q9Y2D0 | 1/20 | 0.45 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.45 |
| ▸ | AHR | P35869 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL29116305 | 1.00 | PTPN1 (0.65) | PTPN1ALDH1A1HSD17B10KCNH2TTR | |
| SCHEMBL20274092 | 0.84 | PTPN1 (0.53) | PTPN1ALDH1A1HSD17B10KCNH2AHR | |
| SCHEMBL28990323 | 0.81 | PTPN1 (0.61) | PTPN1ALDH1A1HSD17B10KCNH2TTR | |
| SCHEMBL5679743 | 0.81 | PTPN1 (0.61) | PTPN1ALDH1A1HSD17B10KCNH2TTR | |
| SCHEMBL11578350 | 0.81 | PTPN1 (0.61) | PTPN1ALDH1A1HSD17B10KCNH2TTR | |
| SCHEMBL16982170 | 0.81 | ALDH1A1 (0.55) | ALDH1A1KMT2AMAOBMAOA | |
| SCHEMBL16974094 | 0.81 | PTPN1 (0.61) | PTPN1ALDH1A1KMT2APOLBMAOB | |
| SCHEMBL1618340 | 0.81 | PTPN1 (0.61) | PTPN1ALDH1A1HSD17B10KCNH2TTR | |
| SCHEMBL5363245 | 0.79 | PTPN1 (1.00) | PTPN1ALDH1A1KMT2APOLBNCOA3 | |
| SCHEMBL21400034 | 0.79 | KCNH2 (0.60) | PTPN1ALDH1A1HSD17B10KCNH2TTR |
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-117126126-A | Method for asymmetrically synthesizing adjacent halohydrin compound | 凯特立斯（深圳）科技有限公司 | 2023-11-28 | — | — | CN | disclosed |