Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 1/20 | 0.34 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.34 |
| ▸ | TRPA1 | O75762 | 3/20 | 0.33 |
| ▸ | TAAR1 | Q96RJ0 | 3/20 | 0.33 |
| ▸ | ACHE | P22303 | 1/20 | 0.31 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.30 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL536253 | 0.87 | ESR1 (0.41) | ESR1ESR2TRPA1TAAR1ACHE | |
| SCHEMBL8076390 | 0.78 | ABCB11 (0.46) | ESR1ESR2TRPA1TAAR1ACHE | |
| SCHEMBL18045114 | 0.78 | ACHE (0.48) | ESR1ESR2TAAR1ACHE | |
| SCHEMBL1610174 | 0.78 | ALDH1A1 (0.44) | TRPA1 | |
| SCHEMBL1304417 | 0.76 | ESR1 (0.43) | ESR1ESR2TAAR1ACHE | |
| SCHEMBL10281071 | 0.76 | AOC3 (0.38) | TRPA1ACHEAOC3 | |
| SCHEMBL11239990 | 0.76 | ESR1 (0.59) | ESR1ESR2TAAR1 | |
| SCHEMBL10857961 | 0.76 | GRIA4 (0.43) | ESR1ESR2TAAR1ACHEAOC3 | |
| SCHEMBL2467595 | 0.76 | ALDH1A1 (0.46) | ESR1ESR2TAAR1 | |
| SCHEMBL2736711 | 0.75 | TAAR1 (0.58) | TRPA1TAAR1AOC3 |
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-5294720-A | Viricides | THE DUPONT MERCK PHARMACEUTICAL CO. (US) | 1994-03-15 | — | — | US | disclosed |