Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.34 |
| ▸ | DHODH | Q02127 | 3/20 | 0.32 |
| ▸ | IKBKB | O14920 | 2/20 | 0.32 |
| ▸ | CDC7 | O00311 | 1/20 | 0.31 |
| ▸ | CCNE1 | P24864 | 1/20 | 0.31 |
| ▸ | CDK2 | P24941 | 1/20 | 0.31 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.31 |
| ▸ | P2RY1 | P47900 | 1/20 | 0.31 |
| ▸ | GFER | P55789 | 1/20 | 0.31 |
| ▸ | RAF1 | P04049 | 1/20 | 0.30 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.30 |
| ▸ | NPC1 | O15118 | 1/20 | 0.30 |
| ▸ | MAPT | P10636 | 1/20 | 0.30 |
| ▸ | HTT | P42858 | 1/20 | 0.30 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 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 | |
|---|---|---|---|---|
| SCHEMBL15472486 | 0.71 | ALDH1A1 (0.41) | ALDH1A1HPGDDHODHIKBKBCDC7 | |
| SCHEMBL17483800 | 0.67 | ALDH1A1 (0.39) | ALDH1A1HPGDDHODHIKBKBCDC7 | |
| SCHEMBL28479846 | 0.65 | FFAR2 (0.35) | ALDH1A1ALOX5RAF1NPC1CYP1A2 | |
| SCHEMBL31047937 | 0.62 | ALDH1A1 (0.31) | ALDH1A1HPGD | |
| SCHEMBL3189574 | 0.61 | ALDH1A1 (0.34) | ALDH1A1HPGD | |
| SCHEMBL28814862 | 0.61 | ALDH1A1 (0.53) | ALDH1A1KDM4ENPC1MAPTHTT | |
| SCHEMBL2678404 | 0.60 | ALDH1A1 (0.38) | ALDH1A1HPGDIKBKB | |
| SCHEMBL28816642 | 0.58 | — | — | |
| SCHEMBL31458677 | 0.58 | ALDH1A1 (0.47) | ALDH1A1HPGDIKBKBKDM4ENPC1 | |
| SCHEMBL13997480 | 0.58 | ALDH1A1 (0.50) | ALDH1A1HPGDDHODHIKBKBNPC1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111848546-B | 2- (aminomethyl) thiazole-5-nitrile and synthesis method thereof | 南通大学 | 2022-08-12 | — | — | CN | disclosed |
| CN-111848546-A | 2- (aminomethyl) thiazole-5-nitrile and synthesis method thereof | 南通大学 | 2020-10-30 | — | — | CN | disclosed |