Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.70 |
| ▸ | TSHR | P16473 | 4/20 | 0.69 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.69 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.69 |
| ▸ | NPC1 | O15118 | 3/20 | 0.69 |
| ▸ | HPGD | P15428 | 3/20 | 0.69 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.69 |
| ▸ | RAB9A | P51151 | 2/20 | 0.69 |
| ▸ | TP53 | P04637 | 1/20 | 0.69 |
| ▸ | GLA | P06280 | 1/20 | 0.69 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.69 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.69 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.69 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.69 |
| ▸ | ESR1 | P03372 | 1/20 | 0.61 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.61 |
| ▸ | EGFR | P00533 | 1/20 | 0.54 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.51 |
| ▸ | MMP1 | P03956 | 1/20 | 0.51 |
| ▸ | MMP2 | P08253 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL29626023 | 1.00 | TDP1 (0.70) | TDP1TSHRL3MBTL1ALDH1A1NPC1 | |
| SCHEMBL112400 | 1.00 | TDP1 (0.70) | TDP1TSHRL3MBTL1ALDH1A1NPC1 | |
| Salicylic Acid SCHEMBL31020340 | 0.95 | TDP1 (0.64) | TDP1TSHRL3MBTL1ALDH1A1NPC1 | |
| Benzyl Salicylate SCHEMBL6692007 | 0.94 | TDP1 (0.82) | TDP1TSHRL3MBTL1ALDH1A1NPC1 | |
| SCHEMBL11066132 | 0.90 | TDP1 (0.75) | TDP1TSHRL3MBTL1ALDH1A1NPC1 | |
| Methacrylic Acid SCHEMBL28905796 | 0.90 | TDP1 (0.57) | TDP1TSHRL3MBTL1ALDH1A1NPC1 | |
| Phenethyl Propionate SCHEMBL28250125 | 0.90 | TDP1 (0.57) | TDP1TSHRL3MBTL1ALDH1A1NPC1 | |
| SCHEMBL290777 | 0.89 | TSHR (0.77) | TDP1TSHRL3MBTL1ALDH1A1NPC1 | |
| SCHEMBL30416074 | 0.89 | TDP1 (0.85) | TDP1TSHRL3MBTL1ALDH1A1NPC1 | |
| SCHEMBL6063013 | 0.89 | TDP1 (0.85) | TDP1TSHRL3MBTL1ALDH1A1NPC1 |
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-2621462-A1 | ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR | The Procter and Gamble Company (US) | 2013-08-07 | — | — | EP | disclosed |
| WO-2012044728-A1 | ORAL CARE COMPOSITIONS WITH IMPROVED FLAVOR | THE PROCTER & GAMBLE COMPANY (US) | 2012-04-05 | — | — | WO | disclosed |