Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | PTGS1 | P23219 | 3/20 | 0.30 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.30 |
| ▸ | LMNA | P02545 | 2/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.30 |
| ▸ | AKR1C3 | P42330 | 2/20 | 0.30 |
| ▸ | CXCR1 | P25024 | 2/20 | 0.30 |
| ▸ | CXCR2 | P25025 | 2/20 | 0.30 |
| ▸ | ALB | P02768 | 1/20 | 0.30 |
| ▸ | ESR1 | P03372 | 1/20 | 0.30 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.30 |
| ▸ | RARB | P10826 | 1/20 | 0.30 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.30 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.30 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.30 |
| ▸ | CXCL8 | P10145 | 1/20 | 0.30 |
| ▸ | TSHR | P16473 | 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 | |
|---|---|---|---|---|
| SCHEMBL21661742 | 0.75 | ALDH1A1 (0.36) | ALDH1A1LMNA | |
| SCHEMBL5196414 | 0.69 | ALDH1A1 (0.59) | ALDH1A1PTGS1PTGS2LMNACYP2C9 | |
| SCHEMBL7769879 | 0.64 | RARB (0.36) | ALDH1A1TDP1PTGS1RARBBLM | |
| Cyclohexanone SCHEMBL5414598 | 0.64 | ALDH1A1 (0.42) | ALDH1A1TDP1 | |
| SCHEMBL8083913 | 0.63 | ALDH1A1 (0.51) | ALDH1A1LMNA | |
| SCHEMBL9543295 | 0.63 | PTGS1 (0.49) | ALDH1A1PTGS1PTGS2LMNACYP2C9 | |
| SCHEMBL1524683 | 0.62 | — | — | |
| SCHEMBL3634597 | 0.62 | TRPA1 (0.31) | — | |
| Acetic Acid SCHEMBL8681207 | 0.62 | ALDH1A1 (0.33) | ALDH1A1TDP1PTGS1PTGS2LMNA | |
| SCHEMBL1509248 | 0.62 | ALDH1A1 (0.59) | ALDH1A1LMNA |
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-2155844-A2 | PERFUME SYSTEMS | The Procter and Gamble Company (US) | 2010-02-24 | — | — | EP | disclosed |
| WO-2008151273-A2 | PERFUME SYSTEMS | THE PROCTER & GAMBLE COMPANY (US) | 2008-12-11 | — | — | WO | disclosed |