Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | RAB9A | P51151 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | THRB | P10828 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9531309 | 0.78 | ALDH1A1 (0.37) | ALDH1A1ATML3MBTL1TP53NPC1 | |
| SCHEMBL11095009 | 0.78 | ALDH1A1 (0.34) | ALDH1A1ATML3MBTL1TP53NPC1 | |
| SCHEMBL8761691 | 0.73 | ALDH1A1 (0.37) | ALDH1A1ATML3MBTL1TP53NPC1 | |
| SCHEMBL8763549 | 0.71 | ALDH1A1 (0.34) | ALDH1A1ATML3MBTL1HPGDMAPT | |
| Hydrochloric Acid SCHEMBL10788742 | 0.69 | ALDH1A1 (0.33) | ALDH1A1ATML3MBTL1HPGDMAPT | |
| SCHEMBL11095006 | 0.69 | ALDH1A1 (0.33) | ALDH1A1ATML3MBTL1TP53NPC1 | |
| SCHEMBL8110384 | 0.69 | ALDH1A1 (0.34) | ALDH1A1ATML3MBTL1TP53NPC1 | |
| SCHEMBL5847084 | 0.67 | ALDH1A1 (0.34) | ALDH1A1ATML3MBTL1TP53NPC1 | |
| SCHEMBL9844100 | 0.65 | ALDH1A1 (0.34) | ALDH1A1ATML3MBTL1NPC1RAB9A | |
| SCHEMBL157088 | 0.64 | — | — |
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-104086508-B | Nitrogenous heterocyclic 1,3,4-thiadiazoles amide derivatives and preparation and application | 贵州大学 | 2016-08-31 | — | — | CN | disclosed |