Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.42 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.42 |
| ▸ | PGR | P06401 | 1/20 | 0.42 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.40 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.40 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.40 |
| ▸ | AKR1C2 | P52895 | 1/20 | 0.40 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.39 |
| ▸ | PDE3B | Q13370 | 3/20 | 0.39 |
| ▸ | PDE3A | Q14432 | 3/20 | 0.39 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.39 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.38 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.38 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.37 |
| ▸ | S1PR1 | P21453 | 1/20 | 0.37 |
| ▸ | S1PR3 | Q99500 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL27676186 | 0.86 | S1PR1 (0.42) | ACHECYP11B2GPR84AKR1C3AKR1C2 | |
| SCHEMBL28838166 | 0.84 | CYP1A2 (0.47) | ACHECYP1A2CYP2A6CYP11B2TRPA1 | |
| SCHEMBL29890174 | 0.84 | CYP1A2 (0.47) | ACHECYP1A2CYP2A6CYP11B2TRPA1 | |
| SCHEMBL28838143 | 0.84 | ACHE (0.43) | ACHECYP1A2CYP2A6CYP11B1CYP11B2 | |
| SCHEMBL28838150 | 0.84 | MEN1 (0.46) | CYP1A2CYP2A6CYP11B1CYP11B2GPR84 | |
| SCHEMBL28838141 | 0.81 | ABL1 (0.50) | ACHECYP1A2CYP2A6PGRCYP11B1 | |
| SCHEMBL28838144 | 0.81 | GPR84 (0.44) | CYP11B1CYP11B2GPR84AKR1C3AKR1C2 | |
| SCHEMBL28838151 | 0.80 | KIF11 (0.51) | PGRCYP11B1CYP11B2PDK2 | |
| SCHEMBL29890044 | 0.80 | KIF11 (0.51) | PGRCYP11B1CYP11B2PDK2 | |
| SCHEMBL30679727 | 0.76 | NR3C1 (0.52) | CYP1A2NR3C1PGRTRPA1HSD11B1 |
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-115010575-B | Synthesis method of 2-trifluoromethyl naphthalene derivative | 温州大学 | 2023-06-06 | — | — | CN | disclosed |
| CN-115010575-A | Synthesis method of 2-trifluoromethyl naphthalene derivative | 温州大学 | 2022-09-06 | — | — | CN | disclosed |