Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.44 |
| ▸ | HTR2C | P28335 | 2/20 | 0.40 |
| ▸ | HTR2B | P41595 | 2/20 | 0.40 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL9618283 | 0.82 | TAAR1 (0.35) | TAAR1CYP2D6 | |
| SCHEMBL15693450 | 0.79 | TAAR1 (0.41) | TAAR1CYP2D6 | |
| SCHEMBL8662384 | 0.78 | TAAR1 (0.38) | TAAR1CYP2D6 | |
| SCHEMBL7515974 | 0.77 | TAAR1 (0.36) | TAAR1CYP2D6 | |
| Etoxazole SCHEMBL27300 | 0.76 | TAAR1 (0.36) | TAAR1CYP2D6 | |
| Etoxazole SCHEMBL29763628 | 0.76 | TAAR1 (0.36) | TAAR1CYP2D6 | |
| Etoxazole SCHEMBL29376426 | 0.76 | TAAR1 (0.36) | TAAR1CYP2D6 | |
| SCHEMBL16116997 | 0.75 | TAAR1 (0.36) | TAAR1CYP2D6 | |
| SCHEMBL8891820 | 0.75 | S1PR4 (0.40) | TAAR1 | |
| SCHEMBL7091836 | 0.75 | ALDH1A1 (0.38) | TAAR1 |
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 |
|---|---|---|---|---|---|---|---|
| JP-6073030-A | — | — | None | — | — | JP | disclosed |
| JP-H0673030-A | 2-@(3754/24)2,6-DIHALOPHENYL)-4-@(3754/24)2-ALKOXY-4-ALKYL, HALO OR TRIFLUOROMETHYLPHENYL)-2-OXAZOLINES AND AGRICULTURAL AND HORTICULTURAL INSECTICIDE COMPRISING THE SAME ACTIVE INGREDIENT | YASHIMA CHEM IND CO LTD | 1994-03-15 | — | — | JP | disclosed |