Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD11B1 | P28845 | 4/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | RARB | P10826 | 5/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.46 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | ESR1 | P03372 | 2/20 | 0.46 |
| ▸ | ADRA2A | P08913 | 2/20 | 0.46 |
| ▸ | ADORA3 | P0DMS8 | 2/20 | 0.46 |
| ▸ | TACR2 | P21452 | 2/20 | 0.46 |
| ▸ | SLC6A2 | P23975 | 2/20 | 0.46 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.46 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.46 |
| ▸ | LMNA | P02545 | 1/20 | 0.46 |
| ▸ | SHBG | P04278 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.46 |
| ▸ | HSPD1 | P10809 | 1/20 | 0.46 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL8621726 | 0.84 | HSD11B1 (0.38) | HSD11B1ALDH1A1MAPK1RARBHSD17B10 | |
| SCHEMBL29939361 | 0.84 | HSD11B1 (0.63) | HSD11B1ALDH1A1RARBHSD17B10TSHR | |
| Hexane SCHEMBL28259336 | 0.83 | MAPK1 (0.71) | ALDH1A1MAPK1TSHRTP53MAPT | |
| SCHEMBL5613091 | 0.83 | RARB (0.50) | ALDH1A1RARBHSD17B10TSHRESR1 | |
| SCHEMBL5599432 | 0.82 | HSD11B1 (0.61) | HSD11B1ALDH1A1RARBHSD17B10TSHR | |
| SCHEMBL35867 | 0.82 | HSD11B1 (0.61) | HSD11B1ALDH1A1RARBHSD17B10TSHR | |
| SCHEMBL9399359 | 0.81 | RARB (0.49) | ALDH1A1RARBHSD17B10TSHRESR1 | |
| SCHEMBL28829436 | 0.81 | HSD11B1 (0.56) | HSD11B1ALDH1A1RARBHSD17B10TSHR | |
| SCHEMBL30684865 | 0.81 | HSD11B1 (0.56) | HSD11B1ALDH1A1RARBHSD17B10TSHR | |
| Phosphine SCHEMBL27456116 | 0.81 | HSD11B1 (0.59) | HSD11B1ALDH1A1RARBHSD17B10TSHR |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108129258-A | A kind of synthesis technology of the bromo- 4`- pentylbiphenyls of 4- | 上海仁实医药科技有限公司 | 2018-06-08 | — | — | CN | claimed |
| CN-108129258-A | A kind of synthesis technology of the bromo- 4`- pentylbiphenyls of 4- | 上海仁实医药科技有限公司 | 2018-06-08 | — | — | CN | disclosed |
| CN-104326952-A | METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF | SUMITOMO CHEMICAL CO | 2015-02-04 | — | — | CN | disclosed |
| CN-104277004-A | METHOD FOR PRODUCING PYRIDAZINONE COMPOUNDS AND INTERMEDIATE THEREOF | SUMITOMO CHEMICAL CO | 2015-01-14 | — | — | CN | disclosed |
| EP-1214306-A1 | LIQUID CRYSTAL COMPOUNDS | Qinetiq Limited (GB) | 2002-06-19 | — | — | EP | disclosed |
| WO-2001021606-A1 | LIQUID CRYSTAL COMPOUNDS | QINETIQ LIMITED (GB) | 2001-03-29 | — | — | WO | disclosed |