Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGER1 | P34995 | 2/20 | 0.68 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.68 |
| ▸ | PTGER3 | P43115 | 2/20 | 0.68 |
| ▸ | PTGER2 | P43116 | 2/20 | 0.68 |
| ▸ | RXRA | P19793 | 8/20 | 0.64 |
| ▸ | RXRB | P28702 | 7/20 | 0.64 |
| ▸ | RXRG | P48443 | 6/20 | 0.64 |
| ▸ | HPGD | P15428 | 2/20 | 0.64 |
| ▸ | FOLH1 | Q04609 | 1/20 | 0.58 |
| ▸ | CFD | P00746 | 1/20 | 0.56 |
| ▸ | PLG | P00747 | 1/20 | 0.56 |
| ▸ | PLAU | P00749 | 1/20 | 0.56 |
| ▸ | F11 | P03951 | 1/20 | 0.56 |
| ▸ | KLKB1 | P03952 | 1/20 | 0.56 |
| ▸ | F7 | P08709 | 1/20 | 0.56 |
| ▸ | TPSB2 | P20231 | 1/20 | 0.56 |
| ▸ | NR4A2 | P43354 | 2/20 | 0.55 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.55 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.55 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.52 |
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 | |
|---|---|---|---|---|
| SCHEMBL31757965 | 0.89 | CFD (0.68) | PTGER1PTGER4PTGER3PTGER2HPGD | |
| SCHEMBL1007508 | 0.89 | CFD (0.68) | PTGER1PTGER4PTGER3PTGER2HPGD | |
| SCHEMBL5092502 | 0.86 | CFD (0.58) | PTGER1PTGER4PTGER3PTGER2CFD | |
| SCHEMBL4000214 | 0.85 | PTGER1 (0.72) | PTGER1PTGER4PTGER3PTGER2RXRA | |
| SCHEMBL29087574 | 0.85 | RXRA (0.68) | PTGER1PTGER4PTGER3PTGER2RXRA | |
| SCHEMBL15726355 | 0.84 | PTGER1 (0.84) | PTGER1PTGER4PTGER3PTGER2RXRA | |
| SCHEMBL8406722 | 0.84 | PTGER1 (0.84) | PTGER1PTGER4PTGER3PTGER2RXRA | |
| SCHEMBL17892024 | 0.82 | ABCB1 (0.66) | PTGER1PTGER4PTGER3PTGER2RXRA | |
| SCHEMBL8321768 | 0.81 | PTGER1 (0.95) | PTGER1PTGER4PTGER3PTGER2RXRA | |
| SCHEMBL2539350 | 0.81 | L3MBTL1 (0.53) | PTGER1PTGER4PTGER3PTGER2RXRA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-115385887-A | Method for preparing isoxepac by ammonium salt ionic liquid catalytic cyclization reaction | 北京联本医药化学技术有限公司 | 2022-11-25 | — | — | CN | claimed |
| CN-115385887-A | Method for preparing isoxepac by ammonium salt ionic liquid catalytic cyclization reaction | 北京联本医药化学技术有限公司 | 2022-11-25 | — | — | CN | disclosed |
| CN-115385887-A | Method for preparing isoxepac by ammonium salt ionic liquid catalytic cyclization reaction | 北京联本医药化学技术有限公司 | 2022-11-25 | — | — | CN | disclosed |