Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1C3 | P42330 | 3/20 | 0.41 |
| ▸ | AKR1C2 | P52895 | 3/20 | 0.41 |
| ▸ | HSD17B1 | P14061 | 1/20 | 0.33 |
| ▸ | HSD17B2 | P37059 | 1/20 | 0.33 |
| ▸ | ACLY | P53396 | 1/20 | 0.32 |
| ▸ | ESR1 | P03372 | 3/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 3/20 | 0.32 |
| ▸ | GSTP1 | P09211 | 1/20 | 0.32 |
| ▸ | PTPRC | P08575 | 1/20 | 0.32 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CA9 | Q16790 | 1/20 | 0.32 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.31 |
| ▸ | CYP11B2 | P19099 | 1/20 | 0.31 |
| ▸ | SGK1 | O00141 | 1/20 | 0.31 |
| ▸ | ATP1A1 | P05023 | 1/20 | 0.31 |
| ▸ | ATP1B1 | P05026 | 1/20 | 0.31 |
| ▸ | ATP1A3 | P13637 | 1/20 | 0.31 |
| ▸ | ATP1B2 | P14415 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL19901407 | 0.97 | AKR1C3 (0.40) | AKR1C3AKR1C2HSD17B1HSD17B2ACLY | |
| SCHEMBL19901436 | 0.95 | AKR1C3 (0.40) | AKR1C3AKR1C2HSD17B1HSD17B2ACLY | |
| SCHEMBL19901434 | 0.87 | PTGS1 (0.37) | AKR1C3AKR1C2ACLYPTPRCPTPN1 | |
| SCHEMBL19901401 | 0.86 | PTGS1 (0.38) | AKR1C3AKR1C2ACLYPTPRCPTPN1 | |
| SCHEMBL15856429 | 0.85 | AKR1C3 (0.36) | AKR1C3AKR1C2HSD17B1HSD17B2ACLY | |
| SCHEMBL19901447 | 0.84 | CA12 (0.39) | AKR1C3AKR1C2ACLYCA1CA2 | |
| SCHEMBL19901480 | 0.84 | CA12 (0.39) | AKR1C3AKR1C2ACLYCA1CA2 | |
| SCHEMBL15853049 | 0.82 | AKR1C3 (0.34) | AKR1C3AKR1C2HSD17B1HSD17B2ACLY | |
| SCHEMBL19901435 | 0.81 | AKR1C3 (0.42) | AKR1C3AKR1C2HSD17B1HSD17B2ESR1 | |
| SCHEMBL15856409 | 0.81 | HSD17B1 (0.36) | AKR1C3AKR1C2HSD17B1HSD17B2ACLY |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9905776-B2 | Pyrene-based compound and organic light-emitting diode comprising the same | SAMSUNG DISPLAY CO., LTD. (KR) | 2018-02-27 | — | — | US | disclosed |