Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAB9A | P51151 | 8/20 | 0.46 |
| ▸ | NPC1 | O15118 | 7/20 | 0.46 |
| ▸ | TP53 | P04637 | 5/20 | 0.46 |
| ▸ | HPGD | P15428 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.46 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.46 |
| ▸ | MAOA | P21397 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 2/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.43 |
| ▸ | MAPT | P10636 | 4/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.43 |
| ▸ | NFKB1 | P19838 | 2/20 | 0.43 |
| ▸ | NFKB2 | Q00653 | 2/20 | 0.43 |
| ▸ | RELA | Q04206 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL28651748 | 0.90 | MAOA (0.44) | RAB9ANPC1TP53HPGDTSHR | |
| SCHEMBL28638868 | 0.86 | S1PR1 (0.39) | RAB9ANPC1TP53HPGDTSHR | |
| SCHEMBL28638150 | 0.85 | NPC1 (0.46) | RAB9ANPC1TP53HPGDTSHR | |
| SCHEMBL28925135 | 0.82 | S1PR1 (0.46) | RAB9ANPC1SMN1; SMN2S1PR1S1PR5 | |
| SCHEMBL28645737 | 0.79 | S1PR1 (0.55) | S1PR1S1PR5 | |
| SCHEMBL28651676 | 0.77 | S1PR1 (0.51) | S1PR1S1PR5 | |
| SCHEMBL28636374 | 0.74 | RAB9A (0.49) | RAB9ANPC1TP53HPGDTSHR | |
| SCHEMBL16592624 | 0.74 | BCHE (0.56) | RAB9ANPC1TP53HPGDTSHR | |
| SCHEMBL22757182 | 0.74 | NPC1 (0.79) | RAB9ANPC1TP53HPGDTSHR | |
| SCHEMBL16592767 | 0.69 | NPC1 (0.62) | RAB9ANPC1TP53HPGDTSHR |
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-109956912-B | Carboxylic acid compound containing diphenyl oxadiazole, preparation method and medical application thereof | 中国医学科学院药物研究所 | 2021-10-22 | — | — | CN | disclosed |