Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAPT | P10636 | 5/20 | 0.55 |
| ▸ | HPGD | P15428 | 4/20 | 0.55 |
| ▸ | LMNA | P02545 | 3/20 | 0.55 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.55 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.55 |
| ▸ | RAF1 | P04049 | 1/20 | 0.55 |
| ▸ | GFER | P55789 | 1/20 | 0.55 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.55 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.48 |
| ▸ | VCAM1 | P19320 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.47 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 1/20 | 0.46 |
| ▸ | RAB9A | P51151 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 2/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL28544871 | 0.84 | HTT (0.53) | MAPTHPGDLMNAALDH1A1MAPK1 | |
| SCHEMBL51755 | 0.79 | LMNA (0.72) | MAPTHPGDLMNAALDH1A1MAPK1 | |
| SCHEMBL2953971 | 0.77 | PDK1 (0.62) | MAPTHPGDLMNAALDH1A1HTT | |
| SCHEMBL20594403 | 0.76 | VCAM1 (0.57) | MAPTHPGDLMNAALDH1A1HTT | |
| SCHEMBL3085325 | 0.76 | VCAM1 (0.59) | MAPTHPGDLMNAALDH1A1HTT | |
| SCHEMBL6698821 | 0.75 | AKR1C3 (0.53) | MAPTHPGDLMNAALDH1A1MAPK1 | |
| SCHEMBL14412612 | 0.75 | VCAM1 (0.58) | MAPTHPGDLMNAALDH1A1HTT | |
| SCHEMBL1018568 | 0.75 | VCAM1 (0.58) | HPGDLMNAALDH1A1HTTPOLB | |
| SCHEMBL5882061 | 0.74 | VCAM1 (0.57) | MAPTHPGDLMNAALDH1A1HTT | |
| SCHEMBL18148192 | 0.74 | VCAM1 (0.57) | MAPTHPGDLMNAALDH1A1HTT |
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-107434789-B | Benzotriazole derivatives, preparation method thereof, pharmaceutical composition and application thereof | 中国医学科学院药物研究所 | 2021-04-13 | — | — | CN | disclosed |