Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1B1 | Q16678 | 14/20 | 1.00 |
| ▸ | CYP1A1 | P04798 | 13/20 | 1.00 |
| ▸ | CYP1A2 | P05177 | 13/20 | 1.00 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.71 |
| ▸ | NPC1 | O15118 | 2/20 | 0.54 |
| ▸ | MAPT | P10636 | 2/20 | 0.54 |
| ▸ | RAB9A | P51151 | 2/20 | 0.54 |
| ▸ | VCP | P55072 | 1/20 | 0.54 |
| ▸ | ESR1 | P03372 | 1/20 | 0.54 |
| ▸ | POLB | P06746 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | MEN1 | O00255 | 1/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.54 |
| ▸ | AR | P10275 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| SCHEMBL28701565 | 0.91 | CYP1B1 (1.00) | CYP1B1CYP1A1CYP1A2ALOX5AR | |
| SCHEMBL29654148 | 0.89 | CYP1B1 (1.00) | CYP1B1CYP1A1CYP1A2ALOX5MAPT | |
| SCHEMBL28716321 | 0.89 | CYP1B1 (1.00) | CYP1B1CYP1A1CYP1A2ALOX5MAPT | |
| SCHEMBL28717651 | 0.86 | CYP1B1 (0.79) | CYP1B1CYP1A1CYP1A2ALOX5NPC1 | |
| SCHEMBL28716318 | 0.84 | CYP1B1 (1.00) | CYP1B1CYP1A1CYP1A2ALOX5MAPT | |
| SCHEMBL12298057 | 0.83 | ALOX5 (0.71) | CYP1B1CYP1A1CYP1A2ALOX5 | |
| SCHEMBL204698 | 0.82 | CYP1A1 (0.90) | CYP1B1CYP1A1CYP1A2ALOX5NPC1 | |
| SCHEMBL29654046 | 0.82 | CYP1B1 (1.00) | CYP1B1CYP1A1CYP1A2ALOX5 | |
| SCHEMBL7042062 | 0.81 | CYP1A1 (0.68) | CYP1B1CYP1A1CYP1A2ALOX5NPC1 | |
| Bromide SCHEMBL6832830 | 0.80 | CYP1A1 (0.67) | CYP1B1CYP1A1CYP1A2ALOX5NPC1 |
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 |