Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.37 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 2/20 | 0.31 |
| ▸ | GABRD | O14764 | 2/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.31 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.31 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.31 |
| ▸ | GABRE | P78334 | 2/20 | 0.31 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL10883735 | 0.87 | TRPV1 (0.33) | TRPV1TRPA1 | |
| SCHEMBL27517780 | 0.84 | LMNA (0.33) | OPRM1 | |
| SCHEMBL23964975 | 0.81 | — | — | |
| SCHEMBL7734724 | 0.81 | OPRM1 (0.71) | OPRM1TP53TRPV1TRPA1ALDH1A1 | |
| SCHEMBL28211132 | 0.81 | OPRM1 (0.71) | OPRM1TP53TRPV1TRPA1ALDH1A1 | |
| SCHEMBL28211102 | 0.81 | OPRM1 (0.71) | OPRM1TP53TRPV1TRPA1ALDH1A1 | |
| SCHEMBL49007 | 0.81 | OPRM1 (0.71) | OPRM1TP53TRPV1TRPA1ALDH1A1 | |
| SCHEMBL26101017 | 0.81 | OPRM1 (0.71) | OPRM1TP53TRPV1TRPA1ALDH1A1 | |
| SCHEMBL10922365 | 0.81 | OPRM1 (0.71) | OPRM1TP53TRPV1TRPA1ALDH1A1 | |
| SCHEMBL8892964 | 0.81 | OPRM1 (0.71) | OPRM1TP53TRPV1TRPA1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-6252114-B1 | TREATING THE ISOLATED PLANT EXTRACT 4-(P-HYDROXYPHENYL)-BUTAN-2-OL WITH MINERAL ACID TO OBTAIN CORRESPONDING PHENOLIC HALIDE, O-METHYLATION OF THE PHENOL, CONVERTING HALIDE TO AZIDE WITH SUBSEQUENT CATALYTIC HYDROGENATION TO AN AMINE | COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) | 2001-06-26 | — | — | US | disclosed |