Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAOA | P21397 | 2/20 | 0.46 |
| ▸ | MAOB | P27338 | 2/20 | 0.46 |
| ▸ | S1PR1 | P21453 | 5/20 | 0.45 |
| ▸ | NR1H4 | Q96RI1 | 3/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | HPGD | P15428 | 2/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.45 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | NPC1 | O15118 | 6/20 | 0.44 |
| ▸ | RAB9A | P51151 | 6/20 | 0.44 |
| ▸ | TP53 | P04637 | 5/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL17629397 | 0.84 | NPC1 (0.51) | MAOAMAOBS1PR1NR1H4ALDH1A1 | |
| SCHEMBL28636371 | 0.82 | MAOA (0.44) | MAOAMAOBS1PR1NR1H4ALDH1A1 | |
| SCHEMBL28651748 | 0.80 | MAOA (0.44) | MAOAMAOBS1PR1NR1H4ALDH1A1 | |
| SCHEMBL28651999 | 0.78 | S1PR1 (0.55) | S1PR1S1PR3 | |
| SCHEMBL20968213 | 0.75 | NR1H4 (0.73) | MAOAMAOBS1PR1NR1H4ALDH1A1 | |
| SCHEMBL28633409 | 0.75 | IP6K1 (0.46) | S1PR1NR1H4ALDH1A1KDM4EHPGD | |
| SCHEMBL28638112 | 0.75 | S1PR1 (0.44) | MAOAMAOBS1PR1S1PR3 | |
| SCHEMBL28656862 | 0.75 | S1PR1 (0.48) | S1PR1S1PR3 | |
| Hydrochloric Acid SCHEMBL28647727 | 0.74 | S1PR1 (0.43) | MAOAMAOBS1PR1S1PR3 | |
| Hydrochloric Acid SCHEMBL28641120 | 0.74 | S1PR1 (0.46) | S1PR1S1PR3 |
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 |