Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | HTT | P42858 | 1/20 | 0.52 |
| ▸ | PDE10A | Q9Y233 | 3/20 | 0.43 |
| ▸ | NCF1 | P14598 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | ACHE | P22303 | 4/20 | 0.39 |
| ▸ | BACE1 | P56817 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.38 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | APP | P05067 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL22395599 | 0.83 | ALDH1A1 (0.56) | ALDH1A1HTTNCF1KMT2AKDM4E | |
| SCHEMBL27149372 | 0.83 | ALDH1A1 (0.51) | ALDH1A1HTTKDM4EMAPTLMNA | |
| SCHEMBL22455074 | 0.78 | NCF1 (0.64) | ALDH1A1HTTPDE10ANCF1KMT2A | |
| SCHEMBL29354433 | 0.78 | NCF1 (0.64) | ALDH1A1HTTPDE10ANCF1KMT2A | |
| SCHEMBL22395770 | 0.77 | ALDH1A1 (0.48) | ALDH1A1HTTKMT2ASMN1; SMN2KDM4E | |
| SCHEMBL27151971 | 0.74 | ALDH1A1 (0.36) | ALDH1A1HTTKMT2ASMN1; SMN2KDM4E | |
| SCHEMBL27154220 | 0.69 | ALDH1A1 (0.48) | ALDH1A1HTTKMT2ASMN1; SMN2KDM4E | |
| SCHEMBL17893758 | 0.68 | ALDH1A1 (0.50) | ALDH1A1HTTKMT2ASMN1; SMN2KDM4E | |
| SCHEMBL4196881 | 0.68 | PDE10A (0.77) | PDE10A | |
| SCHEMBL25134797 | 0.67 | ALDH1A1 (0.78) | ALDH1A1HTTSMN1; SMN2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-3704102-B1 | SUBSTITUTED QUINOLINE ANALOGS AS ALDEHYDE DEHYDROGENASE 1A1 (ALDH1A1) INHIBITORS | US HEALTH (US) | 2024-02-28 | — | — | EP | claimed |