Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 7/20 | 0.49 |
| ▸ | HTT | P42858 | 7/20 | 0.49 |
| ▸ | MEN1 | O00255 | 2/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | NOD2 | Q9HC29 | 1/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 2/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15333488 | 0.78 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2HTTMEN1KMT2A | |
| SCHEMBL15330109 | 0.78 | ALDH1A1 (0.39) | ALDH1A1SMN1; SMN2HTTMEN1KMT2A | |
| SCHEMBL8527697 | 0.78 | MEN1 (0.55) | ALDH1A1SMN1; SMN2HTTMEN1KMT2A | |
| SCHEMBL8527695 | 0.78 | KMT2A (0.40) | ALDH1A1SMN1; SMN2HTTMEN1KMT2A | |
| SCHEMBL19233876 | 0.73 | KDM4E (0.70) | ALDH1A1SMN1; SMN2HTTKMT2ALMNA | |
| SCHEMBL9701331 | 0.73 | HTR6 (0.62) | ALDH1A1KMT2ALMNA | |
| SCHEMBL19232823 | 0.73 | CREBBP (0.64) | ALDH1A1SMN1; SMN2HTTMEN1KMT2A | |
| SCHEMBL19234287 | 0.71 | KMT2A (0.51) | ALDH1A1HTTMEN1KMT2ALMNA | |
| SCHEMBL9701531 | 0.70 | CDC25A (0.49) | CNR2 | |
| SCHEMBL13456337 | 0.70 | CYP1A2 (0.56) | ALDH1A1CYP1A2CYP2C19 |
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-2023098738-A1 | COMPOUND CONTAINING OXADIAZOLE STRUCTURE AND PREPARATION METHOD THEREFOR AND USE THEREOF, AND FUNGICIDE | 江苏中旗科技股份有限公司 | 2023-06-08 | — | — | WO | disclosed |