Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 3/20 | 0.41 |
| ▸ | RAB9A | P51151 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.41 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.41 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 6/20 | 0.36 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.34 |
| ▸ | ADORA1 | P30542 | 5/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27903983 | 0.80 | GLA (0.39) | NPC1RAB9ALMNASMN1; SMN2NFKB1 | |
| SCHEMBL27954293 | 0.79 | ADORA2A (0.43) | NPC1RAB9ALMNASMN1; SMN2NFKB1 | |
| Bromide SCHEMBL27964805 | 0.79 | GLA (0.38) | NPC1RAB9ALMNASMN1; SMN2NFKB1 | |
| Bromide SCHEMBL27954300 | 0.78 | ADORA2A (0.42) | NPC1RAB9ALMNASMN1; SMN2NFKB1 | |
| SCHEMBL27893851 | 0.73 | ADORA3 (0.39) | NPC1RAB9ALMNASMN1; SMN2MAPT | |
| SCHEMBL27910974 | 0.71 | NPC1 (0.44) | NPC1RAB9ALMNASMN1; SMN2MAPT | |
| SCHEMBL27895624 | 0.71 | CYP1A2 (0.40) | ALDH1A1ADORA2AADORA1CYP1A2CYP2D6 | |
| SCHEMBL28020542 | 0.70 | MEN1 (0.41) | NPC1RAB9ASMN1; SMN2MAPTKDM4E | |
| SCHEMBL27967399 | 0.69 | AGER (0.44) | NPC1RAB9ASMN1; SMN2MAPTNPSR1 | |
| SCHEMBL27967393 | 0.66 | CYP1A2 (0.36) | SMN1; SMN2MAPTADORA3ADORA2AADORA1 |
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-102675303-B | 4-alkyl-2-arylamino-5-(1,2,4-triazole-1-group) thiazole and application thereof to preparation of medicaments for resisting cancer | UNIV HUNAN | 2014-04-09 | — | — | CN | disclosed |