Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 8/20 | 0.51 |
| ▸ | SRC | P12931 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | CES2 | O00748 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.39 |
| ▸ | SCN1A | P35498 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.39 |
| ▸ | SCN2A | Q99250 | 1/20 | 0.39 |
| ▸ | SCN3A | Q9NY46 | 1/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL2543709 | 0.88 | CES1 (0.47) | CES1SRCLMNATSHRCES2 | |
| SCHEMBL9015197 | 0.87 | CES1 (0.47) | CES1SRCLMNATSHRCES2 | |
| SCHEMBL28575903 | 0.87 | CES1 (0.47) | CES1SRCLMNATSHRCES2 | |
| SCHEMBL6223784 | 0.85 | CES1 (0.55) | CES1SRCLMNATSHRCES2 | |
| SCHEMBL28611566 | 0.83 | CES1 (0.49) | CES1SRCTSHRALDH1A1TDP1 | |
| SCHEMBL28569931 | 0.81 | CES1 (0.55) | CES1SRCLMNATSHRCES2 | |
| SCHEMBL28567912 | 0.81 | CES1 (0.47) | CES1SRCLMNATSHRCES2 | |
| SCHEMBL28924771 | 0.80 | CES1 (0.46) | CES1SRCLMNATSHRCES2 | |
| SCHEMBL28581432 | 0.80 | CES1 (0.53) | CES1SRCLMNATSHRCES2 | |
| SCHEMBL28536864 | 0.79 | CES1 (0.51) | CES1SRCLMNATSHRALDH1A1 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109265328-B | Method for green synthesis of benzoin diether driven by visible light | 兰州大学 | 2021-06-04 | — | — | CN | disclosed |
| EP-0800514-A1 | SUBSTITUTED IMIDES AS TNF INHIBITORS | CELGENE CORPORATION (US) | 1997-10-15 | — | — | EP | disclosed |
| WO-1996020926-A9 | SUBSTITUTED IMIDES AS TNF INHIBITORS | — | 1996-09-26 | — | — | WO | disclosed |
| WO-1996020926-A1 | SUBSTITUTED IMIDES AS TNF INHIBITORS | CELGENE CORPORATION (US) | 1996-07-11 | — | — | WO | disclosed |
| US-4127588-A | Sulphur containing derivatives | HOFFMANN-LA ROCHE INC. (US) | 1978-11-28 | — | — | US | disclosed |