Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 4/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.42 |
| ▸ | HTR2B | P41595 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.38 |
| ▸ | NQO1 | P15559 | 1/20 | 0.37 |
| ▸ | TTR | P02766 | 1/20 | 0.37 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | HPGD | P15428 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL26048558 | 0.76 | GRIN2B (0.37) | GRIN2BGRIN1HTR2BIDO1TTR | |
| SCHEMBL20405030 | 0.74 | GRIN2B (0.43) | GRIN2BGRIN1PDPK1PLAU | |
| SCHEMBL21583592 | 0.72 | HTR2B (0.49) | HTR2BTTRKDM4EMAPTHPGD | |
| SCHEMBL23975445 | 0.72 | GRIN2B (0.41) | GRIN2BGRIN1HTR2BIDO1NQO1 | |
| SCHEMBL20406946 | 0.71 | GRIN2B (0.39) | GRIN2BGRIN1PDPK1SIGMAR1PLAU | |
| SCHEMBL26898174 | 0.71 | HTR2B (0.40) | GRIN2BGRIN1HTR2BIDO1NQO1 | |
| SCHEMBL24443208 | 0.70 | IDO1 (0.40) | HTR2BIDO1TTRMEN1KMT2A | |
| SCHEMBL19155181 | 0.69 | NQO1 (0.56) | NQO1KDM4EMAPTHPGDMEN1 | |
| SCHEMBL25652243 | 0.68 | GRIN1 (0.38) | GRIN2BGRIN1HTR2BIDO1NQO1 | |
| SCHEMBL17073593 | 0.66 | GRIN2B (0.67) | GRIN2BGRIN1 |
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-3211682-A1 | AROMATIC HETEROCYCLIC DERIVATIVE, ORGANIC ELECTROLUMINESCENCE DEVICE MATERIAL AND ORGANIC ELECTROLUMINESCENCE DEVICE FIELD | Idemitsu Kosan Co., Ltd (JP) | 2017-08-30 | — | — | EP | disclosed |