Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FLT3 | P36888 | 1/20 | 0.40 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.37 |
| ▸ | MMP2 | P08253 | 1/20 | 0.37 |
| ▸ | MMP9 | P14780 | 1/20 | 0.37 |
| ▸ | MMP8 | P22894 | 1/20 | 0.37 |
| ▸ | MMP13 | P45452 | 1/20 | 0.37 |
| ▸ | PAK4 | O96013 | 1/20 | 0.37 |
| ▸ | CDK2 | P24941 | 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 | |
|---|---|---|---|---|
| SCHEMBL19867053 | 0.81 | CD274 (0.57) | ALDH1A1KDM4ESMN1; SMN2MAPK1HPGD | |
| SCHEMBL18077986 | 0.81 | CD274 (0.57) | ALDH1A1KDM4ESMN1; SMN2MAPK1HPGD | |
| SCHEMBL19981174 | 0.77 | SMO (0.43) | ALDH1A1KDM4ESMN1; SMN2MAPK1HPGD | |
| SCHEMBL19981173 | 0.77 | SMO (0.43) | ALDH1A1KDM4ESMN1; SMN2MAPK1HPGD | |
| SCHEMBL19967792 | 0.72 | KDM4E (0.48) | ALDH1A1KDM4ESMN1; SMN2HPGDMAPT | |
| SCHEMBL24095779 | 0.69 | ALDH1A1 (0.61) | CYP3A4CYP2C9CYP2C19ALDH1A1CYP1A2 | |
| SCHEMBL18078744 | 0.64 | CD274 (0.48) | ALDH1A1KDM4ESMN1; SMN2MAPK1MAPT | |
| SCHEMBL24096231 | 0.64 | SRC (0.44) | ALDH1A1SMN1; SMN2 | |
| SCHEMBL5897862 | 0.63 | NPC1 (0.71) | CYP3A4ALDH1A1KDM4ESMN1; SMN2MAPK1 | |
| SCHEMBL24096156 | 0.62 | VSIR (0.41) | ALDH1A1MAPK1LMNA |
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-2018051254-A1 | CYCLIC SUBSTITUTED-1,2,4-OXADIAZOLE COMPOUNDS AS IMMUNOMODULATORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2018-03-22 | — | — | WO | disclosed |