Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.30 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.30 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.30 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.30 |
| ▸ | NPSR1 | Q6W5P4 | 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 | |
|---|---|---|---|---|
| SCHEMBL11077208 | 1.00 | CYP3A4 (0.36) | CYP3A4GSTP1KMT2AALDH1A1TSHR | |
| SCHEMBL5795369 | 0.98 | CYP3A4 (0.37) | CYP3A4GSTP1KMT2AALDH1A1TSHR | |
| SCHEMBL21055694 | 0.94 | CYP3A4 (0.38) | CYP3A4GSTP1KMT2AALDH1A1TSHR | |
| SCHEMBL2185733 | 0.80 | HDAC4 (0.39) | GSTP1ALDH1A1HDAC4HDAC2HDAC8 | |
| SCHEMBL166015 | 0.78 | HDAC4 (0.41) | GSTP1ALDH1A1HDAC4HDAC2HDAC8 | |
| SCHEMBL28408793 | 0.78 | ALDH1A1 (0.43) | CYP3A4GSTP1KMT2AALDH1A1TSHR | |
| SCHEMBL11809148 | 0.76 | GSTP1 (0.36) | GSTP1HDAC4HDAC2HDAC8HDAC6 | |
| SCHEMBL4767012 | 0.76 | KMT2A (0.40) | CYP3A4GSTP1KMT2AALDH1A1HSD17B10 | |
| SCHEMBL9837309 | 0.76 | THRB (0.37) | GSTP1HDAC4HDAC2HDAC8HDAC6 | |
| SCHEMBL9837314 | 0.76 | THRB (0.37) | GSTP1HDAC4HDAC2HDAC8HDAC6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4485019-A | Method of augmenting or enhancing the aroma of perfumed articles using alkyl-4-cyclooctenyl carbonates | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1984-11-27 | — | — | US | disclosed |
| US-4452730-A | REFLUXING 1,5-CYCLOOCTADIENE AND FORMIC ACID TO PRODUCE MIXTURE, REACTING WITH DIALKYL CARBONATE IN PRESENCE OF ALKOXIDE CATALYST | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1984-06-05 | — | — | US | disclosed |
| US-4397789-A | DETERGENTS; SOFTENERS; TOILETRIES; COSMETICS | INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) | 1983-08-09 | — | — | US | disclosed |