Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 3/20 | 0.40 |
| ▸ | RECQL | P46063 | 2/20 | 0.40 |
| ▸ | PPARG | P37231 | 1/20 | 0.40 |
| ▸ | PPARA | Q07869 | 1/20 | 0.40 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.38 |
| ▸ | KCNH2 | Q12809 | 2/20 | 0.37 |
| ▸ | MRGPRX2 | Q96LB1 | 1/20 | 0.37 |
| ▸ | CHRM3 | P20309 | 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 | |
|---|---|---|---|---|
| SCHEMBL4952008 | 0.83 | ALDH1A1 (0.49) | ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| Ammonia Solution, Strong SCHEMBL28391244 | 0.81 | ALDH1A1 (0.47) | ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL11543629 | 0.80 | ALDH1A1 (0.49) | ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL473504 | 0.78 | CYP2C19 (0.53) | ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL30186799 | 0.76 | CYP2C19 (0.45) | ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL17599140 | 0.76 | CYP2C19 (0.47) | ALDH1A1CYP2C19HIF1ATAAR1CHRM3 | |
| SCHEMBL17599139 | 0.76 | ALDH1A1 (0.56) | ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2 | |
| SCHEMBL248114 | 0.74 | TSHR (0.58) | ALDH1A1SMN1; SMN2LMNATSHRMAPK1 | |
| SCHEMBL24210536 | 0.74 | ATM (0.37) | ALDH1A1CYP3A4CYP2C19HIF1AMMP8 | |
| Acetic Acid SCHEMBL30303159 | 0.73 | CYP2C19 (0.44) | ALDH1A1CYP3A4CYP2C9CYP2C19SMN1; SMN2 |
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 |
|---|---|---|---|---|---|---|---|
| EP-0695166-A1 | PERFUME COMPOSITION | QUEST INTERNATIONAL NEDERLAND BV (NL) | 1996-02-07 | — | — | EP | disclosed |
| WO-1994024999-A2 | PERFUME COMPOSITION | QUEST INTERNATIONAL B.V. (NL) | 1994-11-10 | — | — | WO | disclosed |