Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HAO1 | Q9UJM8 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | AR | P10275 | 2/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 6/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | HTR1A | P08908 | 2/20 | 0.34 |
| ▸ | HTR3A | P46098 | 2/20 | 0.34 |
| ▸ | ICAM1 | P05362 | 1/20 | 0.33 |
| ▸ | SELE | P16581 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 2/20 | 0.32 |
| ▸ | RAB9A | P51151 | 2/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.32 |
| ▸ | CASP3 | P42574 | 1/20 | 0.32 |
| ▸ | SENP8 | Q96LD8 | 1/20 | 0.32 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.32 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8878822 | 0.73 | NOTUM (0.36) | NOTUMTSHR | |
| SCHEMBL576094 | 0.71 | ACHE (0.53) | HAO1ALDH1A1ARNOTUMTDP1 | |
| SCHEMBL29965095 | 0.70 | NOTUM (0.48) | HAO1ALDH1A1NOTUMTDP1L3MBTL1 | |
| SCHEMBL29031117 | 0.69 | HTR1A (0.55) | HAO1ALDH1A1ARNOTUMTDP1 | |
| SCHEMBL15906499 | 0.69 | HTR1A (0.50) | HAO1ALDH1A1ARNOTUMTDP1 | |
| Hydrogen Sulfide SCHEMBL11580912 | 0.69 | HTR1A (0.50) | HAO1ALDH1A1ARNOTUMTDP1 | |
| Phosphine SCHEMBL29157942 | 0.69 | HTR1A (0.50) | HAO1ALDH1A1ARNOTUMTDP1 | |
| SCHEMBL11191266 | 0.68 | ACHE (0.43) | HAO1ALDH1A1ARNOTUMTDP1 | |
| SCHEMBL29588151 | 0.67 | AR (0.44) | HAO1ALDH1A1ARNOTUMTDP1 | |
| SCHEMBL20955821 | 0.67 | AR (0.44) | HAO1ALDH1A1ARNOTUMTDP1 |
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-115109050-A | Preparation method and application of quinazolinone-based 1,3, 4-oxadiazole compound | 天津理工大学 | 2022-09-27 | — | — | CN | disclosed |