Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.39 |
| ▸ | ESR1 | P03372 | 3/20 | 0.39 |
| ▸ | SHBG | P04278 | 1/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.35 |
| ▸ | TYR | P14679 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR1B | P28222 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.33 |
| ▸ | HSP90AB1 | P08238 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | CASP1 | P29466 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL664026 | 0.83 | CYP3A4 (0.39) | CYP3A4MAPK1ESR2ESR1SHBG | |
| SCHEMBL27695109 | 0.82 | CYP3A4 (0.54) | CYP3A4MAPK1ESR2ESR1TRPA1 | |
| SCHEMBL648577 | 0.81 | ESR1 (0.47) | ESR2ESR1TRPA1TYRHSD17B10 | |
| SCHEMBL11891680 | 0.81 | ALDH1A1 (0.36) | ALDH1A1 | |
| Benzene SCHEMBL573759 | 0.79 | ESR2 (0.37) | CYP3A4MAPK1ESR2ESR1SHBG | |
| SCHEMBL11717676 | 0.77 | NOS3 (0.33) | CYP3A4ALDH1A1 | |
| SCHEMBL2321269 | 0.77 | HTR1D (0.46) | ESR2ESR1TRPA1TYRHSD17B10 | |
| SCHEMBL3685532 | 0.77 | CA1 (0.39) | CYP3A4MAPK1TRPA1HSD17B10ALDH1A1 | |
| SCHEMBL17232487 | 0.77 | ESR1 (0.41) | CYP3A4MAPK1ESR2ESR1TRPA1 | |
| SCHEMBL2428410 | 0.77 | CYP3A4 (0.38) | CYP3A4MAPK1ESR2ESR1TRPA1 |
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-2136648-A1 | CENTER-FILLED CHEWING GUM PRODUCT FOR DENTAL CARE | Gumlink A/S (DK) | 2009-12-30 | — | — | EP | disclosed |
| WO-2008122286-A1 | CENTER-FILLED CHEWING GUM PRODUCT FOR DENTAL CARE | GUMLINK A/S (DK) | 2008-10-16 | — | — | WO | disclosed |