Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOTUM | Q6P988 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | KIF11 | P52732 | 1/20 | 0.35 |
| ▸ | CA12 | O43570 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | CA9 | Q16790 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | KDM1A | O60341 | 1/20 | 0.34 |
| ▸ | DHFR | P00374 | 1/20 | 0.34 |
| ▸ | PHGDH | O43175 | 2/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.33 |
| ▸ | ATM | Q13315 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28129772 | 0.84 | LMNA (0.35) | KIF11 | |
| SCHEMBL28228501 | 0.77 | HTR3E (0.34) | NOTUMTDP1 | |
| SCHEMBL24527435 | 0.70 | ACHE (0.44) | NOTUMTDP1AKR1C3CYP3A4PTGS2 | |
| SCHEMBL27918987 | 0.68 | AKR1C3 (0.51) | NOTUMTDP1AKR1C3CYP3A4CA12 | |
| SCHEMBL28650484 | 0.65 | CA12 (0.65) | NOTUMAKR1C3CYP3A4CA12CA2 | |
| SCHEMBL10954928 | 0.64 | ALOX5 (0.68) | NOTUMTDP1CYP3A4PTGS2KIF11 | |
| SCHEMBL63468 | 0.64 | ALDH1A1 (0.67) | KIF11 | |
| SCHEMBL4792070 | 0.63 | CA12 (0.49) | NOTUMTDP1AKR1C3CYP3A4KIF11 | |
| SCHEMBL10863979 | 0.63 | ALDH1A1 (0.46) | NOTUMAKR1C3CYP3A4KIF11CA12 | |
| SCHEMBL2203983 | 0.63 | AKR1C3 (0.68) | NOTUMAKR1C3CA12CA2CA9 |
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-106245053-B | By the method for -2 (3H) -one derivative of carbon dioxide, aryl hydrazine and paraformaldehyde electro synthesis 1,3,4- oxadiazoles | 华南理工大学 | 2018-06-22 | — | — | CN | disclosed |