Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 4/20 | 0.50 |
| ▸ | P2RX3 | P56373 | 1/20 | 0.38 |
| ▸ | P2RX2 | Q9UBL9 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 6/20 | 0.37 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.37 |
| ▸ | HTR1A | P08908 | 2/20 | 0.37 |
| ▸ | HTR2C | P28335 | 2/20 | 0.37 |
| ▸ | HTR2B | P41595 | 2/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL11355259 | 0.86 | TSHR (0.41) | TAAR1CYP3A4TSHR | |
| SCHEMBL11358190 | 0.82 | TAAR1 (0.50) | TAAR1P2RX3P2RX2HTR2ACYP3A4 | |
| SCHEMBL11354429 | 0.82 | TAAR1 (0.50) | TAAR1P2RX3P2RX2HTR2ACYP3A4 | |
| SCHEMBL2949402 | 0.78 | TAAR1 (0.71) | TAAR1P2RX3P2RX2HTR2ACYP3A4 | |
| SCHEMBL11357222 | 0.74 | ALOX15 (0.41) | CYP3A4NFKB1 | |
| SCHEMBL12845585 | 0.74 | TAAR1 (0.65) | TAAR1P2RX3P2RX2HTR2ACYP3A4 | |
| SCHEMBL30600118 | 0.74 | TAAR1 (0.65) | TAAR1P2RX3P2RX2HTR2ACYP3A4 | |
| SCHEMBL11357985 | 0.72 | IMPDH2 (0.36) | TAAR1 | |
| SCHEMBL17862081 | 0.72 | TAAR1 (0.59) | TAAR1P2RX3P2RX2HTR2A | |
| SCHEMBL13351579 | 0.72 | TAAR1 (0.55) | TAAR1P2RX3P2RX2HTR2ACYP3A4 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0001910-B1 | PREPARATION OF 4,4'-DIHYDROXY STILBENES OR DERIVATIVES THEREOF | MONSANTO COMPANY (US) | 1981-09-02 | — | — | EP | disclosed |
| US-4189610-A | Preparation of 4,4-dioxy-substituted stilbenes | MONSANTO COMPANY (US) | 1980-02-19 | — | — | US | disclosed |
| EP-0001910-A1 | Preparation of 4,4'-dihydroxy stilbenes or derivatives thereof | MONSANTO COMPANY (US) | 1979-05-16 | — | — | EP | disclosed |