Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2D | O15399 | 1/20 | 0.41 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.41 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.41 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.41 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.41 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.41 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.36 |
| ▸ | CDK2 | P24941 | 1/20 | 0.36 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2500031 | 0.91 | GRIN2D (0.47) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| Acetic Acid SCHEMBL2498732 | 0.87 | GRIN2D (0.44) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL2500720 | 0.80 | PARP1 (0.32) | PARP1 | |
| SCHEMBL2497543 | 0.80 | PARP1 (0.46) | MAPTL3MBTL1PARP1 | |
| SCHEMBL30037833 | 0.80 | PARP1 (0.46) | MAPTL3MBTL1PARP1 | |
| Trifluoroacetic Acid SCHEMBL20482045 | 0.78 | KEAP1 (0.41) | KDM4EMAPTALDH1A1KMT2ATDP1 | |
| Trifluoroacetic Acid SCHEMBL2500721 | 0.78 | PARP1 (0.46) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL2495511 | 0.74 | CDK2 (0.33) | GRIN2DGRIN3BGRIN1GRIN2AGRIN2B | |
| SCHEMBL2498738 | 0.72 | PARP1 (0.34) | KDM4EMAPTHSD17B10ALDH1A1TDP1 | |
| SCHEMBL7346990 | 0.72 | PARP1 (0.43) | MEN1ALDH1A1KMT2AGAAPARP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2373628-A1 | NOVEL COMPOUNDS | Glaxo Group Limited (GB) | 2011-10-12 | — | — | EP | disclosed |
| WO-2010070021-A1 | NOVEL COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2010-06-24 | — | — | WO | disclosed |