Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 5/20 | 0.44 |
| ▸ | CES2 | O00748 | 4/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | DAO | P14920 | 1/20 | 0.44 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CA2 | P00918 | 2/20 | 0.41 |
| ▸ | CA4 | P22748 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.41 |
| ▸ | CA12 | O43570 | 2/20 | 0.41 |
| ▸ | CA1 | P00915 | 2/20 | 0.41 |
| ▸ | CA9 | Q16790 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1524419 | 0.98 | CES2 (0.46) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL164078 | 0.89 | CES1 (0.42) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL7865764 | 0.89 | AKR1C3 (0.43) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL173454 | 0.85 | CES1 (0.39) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL36053 | 0.84 | CES1 (0.46) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL28770109 | 0.84 | CES1 (0.46) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL2106681 | 0.83 | ALDH1A1 (0.44) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL4453783 | 0.83 | CES1 (0.55) | CES1CES2ALDH1A1TSHRDAO | |
| Phosphine SCHEMBL28389655 | 0.80 | CES1 (0.52) | CES1CES2ALDH1A1TSHRDAO | |
| SCHEMBL528366 | 0.80 | CES1 (0.52) | CES1CES2ALDH1A1TSHRDAO |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9745406-B2 | Curable composition | CEMEDINE CO., LTD. (JP) | 2017-08-29 | — | — | US | disclosed |
| EP-2412756-B1 | CURABLE COMPOSITION | CEMEDINE CO LTD (JP) | 2016-12-21 | — | — | EP | disclosed |
| EP-2412756-A1 | CURABLE COMPOSITION | CEMEDINE CO., LTD. (JP) | 2012-02-01 | — | — | EP | disclosed |
| US-20120004371-A1 | CURABLE COMPOSITION | CEMEDINE CO., LTD. (JP) | 2012-01-05 | — | — | US | disclosed |