Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.52 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.48 |
| ▸ | NPC1 | O15118 | 1/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.46 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.46 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.46 |
| ▸ | PTGER3 | P43115 | 4/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | PTGER1 | P34995 | 2/20 | 0.45 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.45 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.45 |
| ▸ | CYP1A2 | P05177 | 1/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL4660476 | 0.83 | CYP2C9 (0.54) | ALDH1A1CYP2C9CYP2C19CYP2D6PKM | |
| SCHEMBL19341772 | 0.80 | NPC1 (0.50) | ALDH1A1CYP2C9CYP2C19CYP2D6PKM | |
| SCHEMBL14417207 | 0.77 | CYP2D6 (0.55) | ALDH1A1CYP2C9CYP2C19CYP2D6PKM | |
| SCHEMBL6421622 | 0.76 | PTGER3 (0.57) | ALDH1A1CYP2C9CYP2C19CYP2D6TSHR | |
| SCHEMBL8692307 | 0.75 | CYP2D6 (0.56) | ALDH1A1CYP2C9CYP2C19CYP2D6PKM | |
| SCHEMBL25518523 | 0.74 | CYP2D6 (0.51) | ALDH1A1CYP2C9CYP2C19CYP2D6PKM | |
| SCHEMBL5200239 | 0.74 | CYP2C9 (0.66) | ALDH1A1CYP2C9CYP2C19CYP2D6NPC1 | |
| SCHEMBL26338251 | 0.74 | ALDH1A1 (0.71) | ALDH1A1KMT2ASMN1; SMN2HPGD | |
| SCHEMBL731549 | 0.74 | CYP2D6 (0.55) | ALDH1A1CYP2C9CYP2C19CYP2D6PKM | |
| SCHEMBL25518055 | 0.73 | CYP2D6 (0.50) | ALDH1A1CYP2C9CYP2C19CYP2D6PKM |
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-2023172726-A1 | NOVEL DIAZEPINES THAT TARGET YELLOW FEVER VIRUS NON-STRUCTURAL 4B (NS4B) PROTEIN AND THEIR METHOD OF USE | BARUCH S. BLUMBERG INSTITUTE (US) | 2023-09-14 | — | — | WO | disclosed |