Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.39 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | HPGD | P15428 | 3/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 1/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 2/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 2/20 | 0.33 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.33 |
| ▸ | NCK1 | P16333 | 1/20 | 0.33 |
| ▸ | BACE1 | P56817 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | MAOA | P21397 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | HTT | P42858 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL14505913 | 0.92 | CYP2A6 (0.41) | CYP2A6TDP1CYP1A2SMN1; SMN2CYP3A4 | |
| SCHEMBL14505906 | 0.90 | CYP2A6 (0.42) | CYP2A6TDP1CYP1A2SMN1; SMN2CYP3A4 | |
| SCHEMBL14505909 | 0.88 | HSD17B1 (0.41) | CYP2A6TDP1CYP1A2SMN1; SMN2CYP3A4 | |
| SCHEMBL14505924 | 0.86 | HSD17B1 (0.41) | CYP2A6TDP1CYP1A2SMN1; SMN2CYP3A4 | |
| SCHEMBL14505903 | 0.86 | HSD17B1 (0.41) | CYP2A6TDP1CYP1A2SMN1; SMN2CYP3A4 | |
| SCHEMBL18099811 | 0.82 | PGR (0.46) | PGRCYP2A6TDP1CYP1A2ALDH1A1 | |
| SCHEMBL2608308 | 0.81 | PGR (0.55) | PGRCYP2A6TDP1CYP1A2ALDH1A1 | |
| SCHEMBL12571791 | 0.80 | CYP1A1 (0.38) | CYP1A2SMN1; SMN2HSD17B1HSD17B2IKBKB | |
| SCHEMBL11954106 | 0.80 | ENPP1 (0.39) | CYP2A6TDP1SMN1; SMN2CYP3A4HSD17B1 | |
| SCHEMBL14505876 | 0.79 | HSD17B1 (0.49) | CYP2A6TDP1CYP1A2SMN1; SMN2CYP3A4 |
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-8951831-B2 | Binaphthalene derivatives, preparation method thereof and organic electronic device using the same | LG CHEM, LTD. (KR) | 2015-02-10 | — | — | US | disclosed |
| US-8951831-B2 | Binaphthalene derivatives, preparation method thereof and organic electronic device using the same | LG CHEM, LTD. (KR) | 2015-02-10 | — | — | US | disclosed |