Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 3/20 | 0.36 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.36 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.35 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.35 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.35 |
| ▸ | CYP1A1 | P04798 | 1/20 | 0.35 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.35 |
| ▸ | ACMSD | Q8TDX5 | 1/20 | 0.34 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.33 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.33 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.33 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.33 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.33 |
| ▸ | CHRNB2 | P17787 | 2/20 | 0.33 |
| ▸ | CHRNB4 | P30926 | 2/20 | 0.33 |
| ▸ | CHRNA3 | P32297 | 2/20 | 0.33 |
| ▸ | CHRNA4 | P43681 | 2/20 | 0.33 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.33 |
| ▸ | SLC6A3 | Q01959 | 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 | |
|---|---|---|---|---|
| SCHEMBL17243470 | 1.00 | ESR1 (0.36) | ESR1ESR2PDK2HSD17B1HSD17B2 | |
| SCHEMBL20466619 | 0.99 | ESR1 (0.37) | ESR1ESR2PDK2HSD17B1HSD17B2 | |
| SCHEMBL10034357 | 0.99 | ESR1 (0.37) | ESR1ESR2PDK2HSD17B1HSD17B2 | |
| SCHEMBL24841630 | 0.96 | HSD17B1 (0.37) | ESR1ESR2PDK2HSD17B1HSD17B2 | |
| SCHEMBL23225124 | 0.94 | PDK2 (0.37) | ESR1ESR2PDK2HSD17B1HSD17B2 | |
| SCHEMBL24255731 | 0.94 | ESR1 (0.36) | ESR1ESR2PDK2HSD17B1HSD17B2 | |
| SCHEMBL23137670 | 0.94 | PDK2 (0.37) | ESR1ESR2PDK2HSD17B1HSD17B2 | |
| SCHEMBL24255799 | 0.94 | PDK2 (0.37) | ESR1ESR2PDK2HSD17B1HSD17B2 | |
| SCHEMBL13137333 | 0.94 | PTGES (0.32) | ESR1ESR2PDK2CYP1A1CYP1B1 | |
| SCHEMBL23224405 | 0.93 | PDK2 (0.38) | ESR1ESR2PDK2HSD17B1HSD17B2 |
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-9184395-B2 | Aromatic amine derivative and organic electroluminescent element using same | IDEMITSU KOSAN CO., LTD. (JP) | 2015-11-10 | — | — | US | disclosed |
| US-9184395-B2 | Aromatic amine derivative and organic electroluminescent element using same | IDEMITSU KOSAN CO., LTD. (JP) | 2015-11-10 | — | — | US | disclosed |