Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 8/20 | 0.51 |
| ▸ | MAPT | P10636 | 5/20 | 0.51 |
| ▸ | LMNA | P02545 | 4/20 | 0.51 |
| ▸ | HTT | P42858 | 4/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.51 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.51 |
| ▸ | HPGD | P15428 | 2/20 | 0.51 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.51 |
| ▸ | TP53 | P04637 | 1/20 | 0.51 |
| ▸ | NLRP1 | Q9C000 | 1/20 | 0.51 |
| ▸ | CACNA1B | Q00975 | 1/20 | 0.51 |
| ▸ | APBA1 | Q02410 | 1/20 | 0.51 |
| ▸ | MEN1 | O00255 | 4/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.49 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | RECQL | P46063 | 1/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL28428683 | 0.82 | ALDH1A1 (0.45) | ALDH1A1MAPTLMNATP53MEN1 | |
| SCHEMBL28428586 | 0.82 | CYP3A4 (0.40) | ALDH1A1MAPTLMNAHTTNPSR1 | |
| SCHEMBL28431691 | 0.82 | MAPT (0.51) | ALDH1A1MAPTLMNAHTTHSP90AA1 | |
| SCHEMBL28428829 | 0.82 | ALDH1A1 (0.35) | ALDH1A1MAPTLMNAHTTNPSR1 | |
| SCHEMBL28433057 | 0.82 | ALDH1A1 (0.49) | ALDH1A1MAPTLMNAHTTNPSR1 | |
| SCHEMBL4407726 | 0.81 | ALDH1A1 (0.49) | ALDH1A1MAPTLMNAHTTNPSR1 | |
| SCHEMBL28432393 | 0.81 | MAPT (0.45) | ALDH1A1MAPTLMNAHTTNPSR1 | |
| SCHEMBL28430189 | 0.81 | NOTUM (0.42) | ALDH1A1MAPTLMNAHTTNPSR1 | |
| SCHEMBL28438713 | 0.81 | ALDH1A1 (0.51) | ALDH1A1MAPTLMNAHTTNPSR1 | |
| SCHEMBL28431693 | 0.80 | ALDH1A1 (0.60) | ALDH1A1MAPTLMNAHTTHSP90AA1 |
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 |