Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.47 |
| ▸ | CYP1B1 | Q16678 | 2/20 | 0.47 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.47 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.39 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.38 |
| ▸ | HPRT1 | P00492 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.33 |
| ▸ | CA2 | P00918 | 1/20 | 0.33 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.33 |
| ▸ | ERBB2 | P04626 | 1/20 | 0.33 |
| ▸ | FYN | P06241 | 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 | |
|---|---|---|---|---|
| SCHEMBL23840 | 1.00 | ALDH1A1 (0.47) | ALDH1A1HSD17B10CYP1B1HIF1APAX8 | |
| SCHEMBL11515314 | 0.93 | ALDH1A1 (0.41) | ALDH1A1HSD17B10CYP1B1HIF1APAX8 | |
| SCHEMBL9844906 | 0.93 | CYP1A2 (0.41) | ALDH1A1HSD17B10CYP1B1HIF1APAX8 | |
| Ethylene Glycol SCHEMBL18525382 | 0.93 | ALDH1A1 (0.41) | ALDH1A1HSD17B10CYP1B1HIF1APAX8 | |
| SCHEMBL3176812 | 0.88 | ALDH1A1 (0.37) | ALDH1A1HSD17B10CYP1B1HIF1APAX8 | |
| SCHEMBL31657085 | 0.87 | ALDH1A1 (0.38) | ALDH1A1HSD17B10CYP1B1HIF1ATDP1 | |
| SCHEMBL31657027 | 0.87 | ALDH1A1 (0.38) | ALDH1A1HSD17B10CYP1B1HIF1ATDP1 | |
| SCHEMBL31656985 | 0.87 | ALDH1A1 (0.38) | ALDH1A1HSD17B10CYP1B1HIF1ATDP1 | |
| Trolamine SCHEMBL11041061 | 0.87 | ALDH1A1 (0.36) | ALDH1A1HSD17B10CYP1B1HIF1APAX8 | |
| Benzanthrone SCHEMBL9018921 | 0.85 | CASP1 (0.49) | ALDH1A1HSD17B10CYP1B1HIF1ATSHR |
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-1853578-A1 | SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS | ELI LILLY AND COMPANY (US) | 2007-11-14 | — | — | EP | disclosed |
| WO-2006088716-A1 | SUBSTITUTED TETRALINS AS SELECTIVE ESTROGEN RECEPTOR-BETA AGONISTS | ELI LILLY AND COMPANY (US) | 2006-08-24 | — | — | WO | disclosed |