Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP19A1 | P11511 | 1/20 | 0.67 |
| ▸ | CYP1A1 | P04798 | 6/20 | 0.65 |
| ▸ | CYP1B1 | Q16678 | 6/20 | 0.65 |
| ▸ | CYP1A2 | P05177 | 5/20 | 0.65 |
| ▸ | LTA4H | P09960 | 1/20 | 0.60 |
| ▸ | RAB9A | P51151 | 4/20 | 0.57 |
| ▸ | MAPT | P10636 | 4/20 | 0.57 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.57 |
| ▸ | NPC1 | O15118 | 3/20 | 0.57 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.57 |
| ▸ | POLB | P06746 | 1/20 | 0.57 |
| ▸ | ATP4A | P20648 | 1/20 | 0.57 |
| ▸ | ATP4B | P51164 | 1/20 | 0.57 |
| ▸ | SREBF2 | Q12772 | 1/20 | 0.57 |
| ▸ | PLG | P00747 | 1/20 | 0.55 |
| ▸ | PLAT | P00750 | 1/20 | 0.55 |
| ▸ | PRSS1 | P07477 | 1/20 | 0.55 |
| ▸ | C1S | P09871 | 1/20 | 0.55 |
| ▸ | HPGD | P15428 | 2/20 | 0.53 |
| ▸ | HTT | P42858 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL235435 | 0.93 | LTA4H (0.67) | CYP19A1CYP1A1CYP1B1CYP1A2LTA4H | |
| SCHEMBL1180783 | 0.87 | CYP19A1 (0.76) | CYP19A1CYP1A1CYP1B1CYP1A2RAB9A | |
| SCHEMBL29654031 | 0.85 | CYP1B1 (0.73) | CYP19A1CYP1A1CYP1B1CYP1A2LTA4H | |
| SCHEMBL1180576 | 0.83 | CYP19A1 (0.71) | CYP19A1CYP1A1CYP1B1CYP1A2RAB9A | |
| SCHEMBL29654110 | 0.82 | MAPT (0.84) | CYP19A1CYP1A1CYP1B1LTA4HRAB9A | |
| SCHEMBL1181045 | 0.80 | CYP19A1 (0.67) | CYP19A1CYP1A1CYP1B1RAB9AMAPT | |
| SCHEMBL29654017 | 0.79 | ALDH1A1 (0.66) | CYP1A1CYP1B1CYP1A2LTA4HRAB9A | |
| SCHEMBL29654020 | 0.78 | CYP19A1 (0.65) | CYP19A1CYP1A1CYP1B1CYP1A2LTA4H | |
| SCHEMBL29654203 | 0.78 | KDM4E (0.85) | CYP1A1CYP1B1CYP1A2RAB9AMAPT | |
| SCHEMBL22801080 | 0.78 | RAB9A (0.73) | LTA4HRAB9AMAPTALDH1A1NPC1 |
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 |