Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GSTP1 | P09211 | 1/20 | 0.38 |
| ▸ | SERPINE1 | P05121 | 1/20 | 0.36 |
| ▸ | HCAR2 | Q8TDS4 | 4/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL19240723 | 0.90 | HCAR2 (0.36) | GSTP1SERPINE1HCAR2ATMALDH1A1 | |
| SCHEMBL1068880 | 0.89 | HCAR2 (0.37) | GSTP1SERPINE1HCAR2ATMALDH1A1 | |
| SCHEMBL1068883 | 0.89 | HCAR2 (0.37) | GSTP1SERPINE1HCAR2ATMALDH1A1 | |
| SCHEMBL9004563 | 0.86 | GSTP1 (0.38) | GSTP1HCAR2ATMALDH1A1TP53 | |
| SCHEMBL10943665 | 0.86 | GSTP1 (0.38) | GSTP1HCAR2ATMALDH1A1TP53 | |
| SCHEMBL1309693 | 0.86 | TSHR (0.38) | GSTP1ALDH1A1TP53CYP3A4MAPK1 | |
| SCHEMBL6249926 | 0.84 | GSTP1 (0.37) | GSTP1HCAR2ATMALDH1A1TP53 | |
| SCHEMBL30849893 | 0.84 | MAPK1 (0.43) | GSTP1HCAR2ATMALDH1A1TP53 | |
| SCHEMBL20657970 | 0.81 | HCAR2 (0.36) | GSTP1HCAR2ATMALDH1A1TP53 | |
| SCHEMBL18431740 | 0.80 | HCAR2 (0.42) | HCAR2ATM |
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 |
|---|---|---|---|---|---|---|---|
| US-10793807-B2 | Organoleptic compounds | INTERNATIONAL FLAVORS & FRAGRANCES INC (US) | 2020-10-06 | — | — | US | disclosed |
| WO-2020018737-A1 | NOVEL ORGANOLEPTIC COMPOUNDS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 2020-01-23 | — | — | WO | disclosed |