Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | S1PR1 | P21453 | 11/20 | 0.39 |
| ▸ | S1PR5 | Q9H228 | 2/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | NPC1 | O15118 | 3/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | S1PR3 | Q99500 | 2/20 | 0.38 |
| ▸ | MAOA | P21397 | 2/20 | 0.38 |
| ▸ | MAOB | P27338 | 2/20 | 0.38 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.38 |
| ▸ | MINK1 | Q8N4C8 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.37 |
| ▸ | CNR2 | P34972 | 1/20 | 0.37 |
| ▸ | BCHE | P06276 | 1/20 | 0.37 |
| ▸ | ACHE | P22303 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL28925135 | 0.87 | S1PR1 (0.46) | S1PR1S1PR5RAB9ANPC1SMN1; SMN2 | |
| SCHEMBL28636433 | 0.86 | RAB9A (0.46) | S1PR1S1PR5RAB9ANPC1MEN1 | |
| SCHEMBL28638150 | 0.85 | NPC1 (0.46) | S1PR1S1PR5RAB9ANPC1MEN1 | |
| SCHEMBL28645737 | 0.85 | S1PR1 (0.55) | S1PR1S1PR5S1PR3MAP4K4MINK1 | |
| SCHEMBL28651676 | 0.81 | S1PR1 (0.51) | S1PR1S1PR5S1PR3MAP4K4MINK1 | |
| SCHEMBL28651748 | 0.81 | MAOA (0.44) | S1PR1S1PR5RAB9ANPC1MEN1 | |
| SCHEMBL28636402 | 0.79 | S1PR1 (0.58) | S1PR1S1PR5S1PR3 | |
| SCHEMBL28925145 | 0.79 | S1PR1 (0.58) | S1PR1S1PR5S1PR3MAP4K4MINK1 | |
| SCHEMBL28636159 | 0.75 | TYR (0.43) | S1PR1S1PR5RAB9ANPC1MEN1 | |
| SCHEMBL15970846 | 0.72 | S1PR1 (0.38) | S1PR1S1PR5RAB9ANPC1MEN1 |
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 |