Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TYR | P14679 | 1/20 | 0.46 |
| ▸ | GRIN2D | O15399 | 2/20 | 0.44 |
| ▸ | GRIN3B | O60391 | 2/20 | 0.44 |
| ▸ | GRIN1 | Q05586 | 2/20 | 0.44 |
| ▸ | GRIN2A | Q12879 | 2/20 | 0.44 |
| ▸ | GRIN2B | Q13224 | 2/20 | 0.44 |
| ▸ | GRIN2C | Q14957 | 2/20 | 0.44 |
| ▸ | GRIN3A | Q8TCU5 | 2/20 | 0.44 |
| ▸ | AMY1A | P0DUB6 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | KIF11 | P52732 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CA2 | P00918 | 3/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.38 |
| ▸ | CA1 | P00915 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | ATM | Q13315 | 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 | |
|---|---|---|---|---|
| SCHEMBL28530825 | 0.97 | CYP1A2 (0.47) | CYP1A2TSHRLMNATYRGRIN2D | |
| SCHEMBL277827 | 0.80 | CYP1A2 (0.55) | CYP1A2TSHRLMNATYRGRIN2D | |
| SCHEMBL348622 | 0.78 | TSHR (0.52) | CYP1A2TSHRLMNATYRGRIN2D | |
| SCHEMBL1825727 | 0.78 | CYP1A2 (0.64) | CYP1A2TSHRLMNATYRGRIN2D | |
| SCHEMBL1825729 | 0.78 | CYP1A2 (0.64) | CYP1A2TSHRLMNATYRGRIN2D | |
| SCHEMBL424728 | 0.76 | TSHR (0.73) | CYP1A2TSHRLMNATYRKIF11 | |
| SCHEMBL141087 | 0.76 | CYP1A2 (0.50) | CYP1A2TSHRLMNATYRGRIN2D | |
| SCHEMBL29145894 | 0.76 | CYP1A2 (0.61) | CYP1A2TSHRLMNATYRGRIN2D | |
| SCHEMBL14205332 | 0.76 | GRIN2D (0.50) | CYP1A2TSHRLMNATYRGRIN2D | |
| SCHEMBL9359775 | 0.75 | CYP1A2 (0.45) | CYP1A2TSHRLMNATYRGRIN2D |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2632896-B1 | ELECTROPHILIC REAGENTS FOR MONOHALOMETHYLATION,THEIR PREPARATION AND THEIR USES | HOVIONE INT LTD (CH) | 2017-03-15 | — | — | EP | claimed |