Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTT | P42858 | 2/20 | 0.47 |
| ▸ | ABCG2 | Q9UNQ0 | 7/20 | 0.42 |
| ▸ | NPC1 | O15118 | 3/20 | 0.42 |
| ▸ | RAB9A | P51151 | 3/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | MAPT | P10636 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | ABCB1 | P08183 | 2/20 | 0.41 |
| ▸ | MAPKAPK2 | P49137 | 1/20 | 0.40 |
| ▸ | PDE8B | O95263 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.40 |
| ▸ | CDC25A | P30304 | 1/20 | 0.39 |
| ▸ | CDC25B | P30305 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | SENP8 | Q96LD8 | 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 | |
|---|---|---|---|---|
| SCHEMBL28432152 | 0.81 | NPC1 (0.45) | HTTNPC1RAB9AALDH1A1MAPT | |
| SCHEMBL28425965 | 0.79 | ALDH1A1 (0.46) | HTTABCG2ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL28428575 | 0.78 | KDM4E (0.42) | ABCG2NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL28428570 | 0.78 | NPC1 (0.50) | NPC1RAB9AALDH1A1MAPTMEN1 | |
| SCHEMBL28428578 | 0.78 | CHRNB2 (0.38) | NPC1RAB9AALDH1A1MAPTMEN1 | |
| SCHEMBL28438715 | 0.78 | CHRNB2 (0.38) | ABCG2NPC1MGLL | |
| SCHEMBL4407197 | 0.78 | ABCG2 (0.46) | ABCG2NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL28432163 | 0.77 | NPC1 (0.42) | HTTNPC1RAB9AALDH1A1MAPT | |
| SCHEMBL28425959 | 0.77 | ALDH1A1 (0.41) | ABCG2NPC1RAB9AALDH1A1MAPT | |
| SCHEMBL28436235 | 0.77 | MAPT (0.39) | ABCG2NPC1RAB9AALDH1A1MAPT |
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-111057023-A | 1-aryl-tetrazole-5-nitrile and 2-aryl-tetrazole-5-nitrile and preparation method thereof | 天津大学 | 2020-04-24 | — | — | CN | disclosed |