Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TRPA1 | O75762 | 1/20 | 0.36 |
| ▸ | CPA1 | P15085 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | FAAH | O00519 | 3/20 | 0.32 |
| ▸ | CNR1 | P21554 | 1/20 | 0.32 |
| ▸ | CNR2 | P34972 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11529375 | 0.83 | TDP1 (0.38) | ALDH1A1TDP1 | |
| SCHEMBL6398747 | 0.79 | — | — | |
| SCHEMBL640906 | 0.78 | — | — | |
| Bromide SCHEMBL6207345 | 0.76 | — | — | |
| SCHEMBL11458993 | 0.74 | ALDH1A1 (0.32) | ALDH1A1TDP1 | |
| SCHEMBL11477167 | 0.74 | CYP2C19 (0.32) | ALDH1A1TDP1TSHRFAAH | |
| SCHEMBL1413247 | 0.72 | CPA1 (0.41) | TRPA1CPA1TSHR | |
| SCHEMBL3237663 | 0.72 | — | — | |
| SCHEMBL12202942 | 0.72 | ALDH1A1 (0.42) | ALDH1A1TDP1 | |
| SCHEMBL10835145 | 0.71 | CA2 (0.41) | ALDH1A1TDP1 |
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-4240983-A | HALOGENATION | BAYER AKTIENGESELLSCHAFT (DE) | 1980-12-23 | — | — | US | disclosed |