Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.70 |
| ▸ | HPGD | P15428 | 4/20 | 0.70 |
| ▸ | PPARG | P37231 | 1/20 | 0.59 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.59 |
| ▸ | SCN10A | Q9Y5Y9 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.55 |
| ▸ | MAPT | P10636 | 3/20 | 0.55 |
| ▸ | CA2 | P00918 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 1/20 | 0.53 |
| ▸ | RAB9A | P51151 | 1/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | TSHR | P16473 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL29200012 | 1.00 | ALDH1A1 (0.70) | ALDH1A1HPGDPPARGSCN2ASCN10A | |
| SCHEMBL4521046 | 0.83 | ALDH1A1 (1.00) | ALDH1A1HPGDPPARGKDM4ELMNA | |
| SCHEMBL5645070 | 0.79 | LMNA (0.64) | ALDH1A1HPGDKDM4ELMNASMN1; SMN2 | |
| SCHEMBL27909695 | 0.79 | NPC1 (0.71) | ALDH1A1HPGDPPARGSMN1; SMN2MAPT | |
| SCHEMBL6362838 | 0.78 | ALDH1A1 (0.62) | ALDH1A1HPGDPPARGSCN2ASCN10A | |
| SCHEMBL3282130 | 0.78 | ERCC5 (0.50) | ALDH1A1HPGDKDM4ELMNASMN1; SMN2 | |
| SCHEMBL10769828 | 0.77 | HPGD (0.66) | ALDH1A1HPGDPPARGSCN2ASCN10A | |
| SCHEMBL4154673 | 0.77 | ALDH1A1 (0.56) | ALDH1A1HPGDKDM4ESMN1; SMN2MAPT | |
| SCHEMBL10770509 | 0.77 | ALDH1A1 (0.69) | ALDH1A1HPGDPPARGSCN2ASCN10A | |
| SCHEMBL2130014 | 0.76 | ALDH1A1 (0.49) | ALDH1A1HPGDSCN2ASCN10AKDM4E |
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-112661661-B | Compounds having HSP90 inhibitory activity or pharmaceutically acceptable salts thereof and medical use thereof | 恩科森株式会社 | 2023-06-27 | — | — | CN | disclosed |