Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.43 |
| ▸ | CA12 | O43570 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 2/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA7 | P43166 | 2/20 | 0.36 |
| ▸ | CA9 | Q16790 | 2/20 | 0.36 |
| ▸ | CA14 | Q9ULX7 | 2/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.36 |
| ▸ | PDK4 | Q16654 | 1/20 | 0.36 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 1/20 | 0.35 |
| ▸ | CASP3 | P42574 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.35 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.35 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.34 |
| ▸ | GAA | P10253 | 4/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL31474116 | 0.83 | ALDH1A1 (0.39) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL31003132 | 0.83 | ALDH1A1 (0.39) | ALDH1A1NPC1RAB9ASMN1; SMN2KDM4E | |
| SCHEMBL14578221 | 0.78 | ALDH1A1 (0.55) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL522062 | 0.74 | CA12 (0.52) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL31474062 | 0.74 | FFAR4 (0.39) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL31474073 | 0.74 | LMNA (0.45) | ALDH1A1NPC1RAB9AKDM4EMAPT | |
| SCHEMBL10524277 | 0.73 | KDM4E (0.39) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL10521834 | 0.71 | MAPT (0.38) | ALDH1A1CA12CA1CA2CA7 | |
| SCHEMBL4701885 | 0.71 | TDP1 (0.41) | ALDH1A1KDM4EHPGDHSD17B10MAPT | |
| SCHEMBL31474150 | 0.71 | CA12 (0.34) | ALDH1A1CA12CA1CA2CA7 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025061148-A1 | HETEROARYL COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE | 江苏恒瑞医药股份有限公司 | 2025-03-27 | — | — | WO | disclosed |