Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | ERN1 | O75460 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.39 |
| ▸ | TUBB1 | Q9H4B7 | 3/20 | 0.39 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.39 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.39 |
| ▸ | PDGFRA | P16234 | 1/20 | 0.39 |
| ▸ | TDP2 | O95551 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 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 | |
|---|---|---|---|---|
| SCHEMBL28117780 | 0.82 | PDGFRB (0.48) | MEN1ALDH1A1KMT2AMAPTTUBB1 | |
| SCHEMBL28837694 | 0.81 | PDGFRB (0.49) | MEN1ALDH1A1KMT2AMAPTKDM4E | |
| SCHEMBL28117636 | 0.79 | KDR (0.42) | CYP19A1ALDH1A1TUBB1PDGFRB | |
| SCHEMBL28118287 | 0.78 | FYN (0.49) | CYP19A1ALDH1A1MAPTPDGFRB | |
| SCHEMBL28117775 | 0.77 | ABCB1 (0.53) | CYP19A1ALDH1A1KDM4E | |
| SCHEMBL28117662 | 0.74 | ABCB1 (0.52) | ALDH1A1KDM4E | |
| SCHEMBL28952863 | 0.72 | MGAM (0.47) | MEN1ALDH1A1KMT2AMAPTSMN1; SMN2 | |
| SCHEMBL28117658 | 0.71 | ERN1 (0.49) | MEN1ALDH1A1KMT2AERN1SMN1; SMN2 | |
| SCHEMBL9464193 | 0.69 | CYP17A1 (0.61) | MEN1ALDH1A1KMT2AMAPTERN1 | |
| SCHEMBL4600178 | 0.68 | CYP19A1 (0.43) | CYP19A1MEN1ALDH1A1KMT2AMAPT |
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-106279058-A | The preparation of 3,4-diaryl-1,2,5-diazole oxide and purposes | 沈阳药科大学 | 2017-01-04 | — | — | CN | disclosed |