Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.31 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | CYP2C19 | P33261 | 1/20 | 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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL5073410 | 0.70 | ALDH1A1 (0.35) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL8534893 | 0.69 | ALDH1A1 (0.34) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL9609159 | 0.69 | ALDH1A1 (0.34) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL9609157 | 0.69 | ALDH1A1 (0.34) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL19513299 | 0.69 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL19513297 | 0.69 | ALDH1A1 (0.32) | ALDH1A1 | |
| SCHEMBL15874511 | 0.68 | ALDH1A1 (0.35) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL9883158 | 0.68 | ALDH1A1 (0.35) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL9609158 | 0.68 | ALDH1A1 (0.33) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 | |
| SCHEMBL30885181 | 0.68 | ALDH1A1 (0.33) | ALDH1A1CYP3A4CYP2C9TSHRCYP2C19 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012069647-A1 | NOVEL 1H- SPIRO [NAPHTALENE- 2, 2 ' -OXIRANE] DERIVATIVES | GIVAUDAN SA (CH) | 2012-05-31 | — | — | WO | claimed |
| WO-2012069647-A1 | NOVEL 1H- SPIRO [NAPHTALENE- 2, 2 ' -OXIRANE] DERIVATIVES | GIVAUDAN SA (CH) | 2012-05-31 | — | — | WO | disclosed |