Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | HTT | P42858 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | POLB | P06746 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.43 |
| ▸ | MGMT | P16455 | 1/20 | 0.38 |
| ▸ | MAOB | P27338 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.36 |
| ▸ | XDH | P47989 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL28534183 | 0.86 | ALDH1A1 (0.44) | ALDH1A1HTTLMNAPOLBSMN1; SMN2 | |
| SCHEMBL29291232 | 0.84 | ALDH1A1 (0.47) | ALDH1A1HTTLMNAPOLBSMN1; SMN2 | |
| SCHEMBL1655496 | 0.74 | LMNA (0.50) | ALDH1A1HTTLMNAPOLBSMN1; SMN2 | |
| SCHEMBL28537310 | 0.70 | ALDH1A1 (0.46) | ALDH1A1HTTLMNAPOLBSMN1; SMN2 | |
| SCHEMBL28542752 | 0.70 | ALDH1A1 (0.56) | ALDH1A1HTTLMNAPOLBSMN1; SMN2 | |
| SCHEMBL2658789 | 0.70 | SGMS2 (0.47) | MGMTMAOBMEN1KMT2A | |
| SCHEMBL29291239 | 0.68 | GAA (0.54) | ALDH1A1HTTLMNAKDM4EMEN1 | |
| SCHEMBL6035133 | 0.67 | FFAR1 (0.48) | MAOBXDH | |
| SCHEMBL28543611 | 0.67 | CTSV (0.56) | ALDH1A1LMNAPOLBSMN1; SMN2KDM4E | |
| SCHEMBL28374136 | 0.66 | ALDH1A1 (0.46) | ALDH1A1HTTLMNAPOLBSMN1; SMN2 |
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-109721586-A | A kind of 5- benzyl -3- pyridyl group -1H-1,2,4- triazole class compounds and its preparation method and application | 中国医科大学 | 2019-05-07 | — | — | CN | disclosed |