Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.47 |
| ▸ | LMNA | P02545 | 1/20 | 0.47 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.47 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 4/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.40 |
| ▸ | NPC1 | O15118 | 2/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | MGMT | P16455 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.39 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL28537310 | 0.86 | ALDH1A1 (0.46) | ALDH1A1SMN1; SMN2LMNAPOLBHTT | |
| SCHEMBL29291238 | 0.84 | ALDH1A1 (0.43) | ALDH1A1SMN1; SMN2LMNAPOLBHTT | |
| SCHEMBL14228268 | 0.79 | MGMT (0.48) | ALDH1A1LMNAPOLBMAPTMEN1 | |
| SCHEMBL28542752 | 0.75 | ALDH1A1 (0.56) | ALDH1A1SMN1; SMN2LMNAPOLBHTT | |
| SCHEMBL12253970 | 0.73 | PTPN1 (0.47) | SMN1; SMN2MAPTMEN1KMT2APTPN1 | |
| SCHEMBL10470640 | 0.73 | LTA4H (0.48) | ALDH1A1SMN1; SMN2LMNAPOLBMAPT | |
| SCHEMBL28534183 | 0.72 | ALDH1A1 (0.44) | ALDH1A1SMN1; SMN2LMNAPOLBHTT | |
| SCHEMBL9007594 | 0.71 | MGMT (0.50) | ALDH1A1SMN1; SMN2LMNAPOLBHTT | |
| SCHEMBL10411921 | 0.70 | MAPT (0.52) | ALDH1A1SMN1; SMN2LMNAPOLBHTT | |
| SCHEMBL29291239 | 0.70 | GAA (0.54) | ALDH1A1LMNAHTTMAPTMEN1 |
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 |