Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.55 |
| ▸ | CES1 | P23141 | 1/20 | 0.55 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.46 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.46 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | CA12 | O43570 | 4/20 | 0.44 |
| ▸ | CA1 | P00915 | 4/20 | 0.44 |
| ▸ | CA2 | P00918 | 4/20 | 0.44 |
| ▸ | CA9 | Q16790 | 4/20 | 0.44 |
| ▸ | HSD11B1 | P28845 | 2/20 | 0.39 |
| ▸ | EPHX1 | P07099 | 6/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | HSD11B2 | P80365 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL5419871 | 1.00 | CES2 (0.55) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL6916795 | 1.00 | CES2 (0.55) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL11654657 | 0.97 | CES2 (0.52) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL6914726 | 0.97 | CES2 (0.50) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL23530251 | 0.94 | CES2 (0.55) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL8374916 | 0.94 | CES2 (0.55) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL6908797 | 0.94 | CES2 (0.55) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL4439197 | 0.94 | CES2 (0.55) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL11608975 | 0.94 | CES2 (0.55) | CES2CES1HDAC8HDAC6TSHR | |
| SCHEMBL5079485 | 0.94 | CES2 (0.55) | CES2CES1HDAC8HDAC6TSHR |
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 |
|---|---|---|---|---|---|---|---|
| US-6830704-B2 | Contains a Lewis acid metal salt and a compound having clathrating ability. | TOAGOSEI CO., LTD. (JP) | 2004-12-14 | — | — | US | disclosed |
| US-20030135016-A1 | Contains a Lewis acid metal salt and a compound having clathrating ability. | TOAGOSEI CO., LTD. | 2003-07-17 | — | — | US | disclosed |
| US-6547985-B1 | Adhesive mixture | TOGOSEI CO., LTD. (JP) | 2003-04-15 | — | — | US | disclosed |