Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A1 | P04798 | 8/20 | 0.61 |
| ▸ | CYP1B1 | Q16678 | 8/20 | 0.61 |
| ▸ | CYP1A2 | P05177 | 7/20 | 0.61 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.52 |
| ▸ | NPC1 | O15118 | 4/20 | 0.51 |
| ▸ | RAB9A | P51151 | 4/20 | 0.51 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.51 |
| ▸ | AR | P10275 | 3/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | LMNA | P02545 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.51 |
| ▸ | XDH | P47989 | 1/20 | 0.48 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 3/20 | 0.47 |
| ▸ | MAOB | P27338 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL129802 | 0.93 | ALOX5 (0.57) | CYP1A1CYP1B1CYP1A2ALOX5NPC1 | |
| SCHEMBL22543358 | 0.89 | CYP1A1 (0.62) | CYP1A1CYP1B1CYP1A2ALOX5NPC1 | |
| SCHEMBL29654111 | 0.85 | HTR2A (0.51) | CYP1A1CYP1B1CYP1A2ALOX5NPC1 | |
| SCHEMBL29654014 | 0.85 | CYP1A1 (0.47) | CYP1A1CYP1B1CYP1A2ALOX5NPC1 | |
| SCHEMBL127262 | 0.81 | RAB9A (0.54) | ALOX5NPC1RAB9ASMN1; SMN2AR | |
| SCHEMBL24202029 | 0.80 | RAB9A (0.54) | ALOX5NPC1RAB9ASMN1; SMN2AR | |
| Bromide SCHEMBL6833632 | 0.80 | RAB9A (0.56) | ALOX5NPC1RAB9ASMN1; SMN2AR | |
| SCHEMBL22801126 | 0.78 | MAPK14 (0.54) | CYP1A1CYP1B1CYP1A2NPC1RAB9A | |
| SCHEMBL4411743 | 0.78 | MAPK14 (0.66) | NPC1RAB9ASMN1; SMN2MAPK1MEN1 | |
| SCHEMBL28707194 | 0.78 | CYP1A2 (0.57) | CYP1A1CYP1B1CYP1A2ALOX5NPC1 |
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-114249702-A | N-aryl- [2,4 '-bithiazole ] -2' -amine compound and preparation and application thereof | 沈阳药科大学 | 2022-03-29 | — | — | CN | disclosed |