Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.62 |
| ▸ | NPC1 | O15118 | 7/20 | 0.60 |
| ▸ | RAB9A | P51151 | 7/20 | 0.60 |
| ▸ | LMNA | P02545 | 2/20 | 0.57 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
| ▸ | MAPT | P10636 | 3/20 | 0.54 |
| ▸ | TSHR | P16473 | 3/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
| ▸ | TP53 | P04637 | 1/20 | 0.52 |
| ▸ | HDAC3 | O15379 | 2/20 | 0.51 |
| ▸ | HDAC8 | Q9BY41 | 2/20 | 0.51 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | HPGD | P15428 | 1/20 | 0.51 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL65696 | 0.92 | ALDH1A1 (0.71) | ALDH1A1NPC1RAB9ALMNAPOLB | |
| Hydrochloric Acid SCHEMBL14645193 | 0.91 | ALDH1A1 (0.69) | ALDH1A1NPC1RAB9ALMNAPOLB | |
| SCHEMBL64153 | 0.87 | ALDH1A1 (0.64) | ALDH1A1NPC1RAB9ALMNASMN1; SMN2 | |
| SCHEMBL30277672 | 0.84 | CA1 (0.61) | ALDH1A1NPC1RAB9ALMNAPOLB | |
| SCHEMBL28711724 | 0.80 | BRD4 (0.73) | — | |
| SCHEMBL29390384 | 0.80 | BRD4 (0.73) | — | |
| SCHEMBL2951325 | 0.79 | ALDH1A1 (0.71) | ALDH1A1NPC1RAB9ALMNAMAPT | |
| SCHEMBL20897465 | 0.79 | ALDH1A1 (0.71) | ALDH1A1NPC1RAB9ALMNAMAPT | |
| SCHEMBL1505883 | 0.79 | MEN1 (0.64) | ALDH1A1NPC1RAB9ALMNAPOLB | |
| SCHEMBL5742108 | 0.78 | ALDH1A1 (0.69) | ALDH1A1NPC1RAB9ALMNAMAPT |
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-118302401-A | Dual inhibitors of histone deacetylase 6 and heat shock protein 90 | 台北医学大学 | 2024-07-05 | — | — | CN | disclosed |