Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP1 | P09874 | 2/20 | 0.42 |
| ▸ | ELANE | P08246 | 4/20 | 0.42 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.39 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.39 |
| ▸ | ACHE | P22303 | 4/20 | 0.39 |
| ▸ | BCHE | P06276 | 2/20 | 0.38 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | C1R | P00736 | 1/20 | 0.36 |
| ▸ | PDPK1 | O15530 | 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 | |
|---|---|---|---|---|
| SCHEMBL10455684 | 0.79 | TDP1 (0.46) | PARP1ELANEGRIN1GRIN2AACHE | |
| SCHEMBL18283409 | 0.78 | TDP1 (0.41) | PARP1ELANEGRIN1GRIN2AACHE | |
| SCHEMBL10654059 | 0.72 | MAOA (0.65) | PARP1ELANEACHEBCHEC1R | |
| SCHEMBL31140889 | 0.68 | PARP1 (0.46) | PARP1ELANEGRIN1GRIN2AACHE | |
| SCHEMBL7811084 | 0.68 | PARP1 (0.46) | PARP1ELANEGRIN1GRIN2AACHE | |
| SCHEMBL24951255 | 0.68 | PARP1 (0.46) | PARP1ELANEGRIN1GRIN2AACHE | |
| SCHEMBL29008939 | 0.68 | PARP1 (0.46) | PARP1ELANEGRIN1GRIN2AACHE | |
| SCHEMBL538143 | 0.68 | PARP1 (0.42) | PARP1ELANEGRIN1GRIN2AACHE | |
| SCHEMBL30013654 | 0.67 | PARP1 (0.44) | PARP1ELANEGRIN1GRIN2AACHE | |
| SCHEMBL3337344 | 0.67 | PARP1 (0.44) | PARP1ELANEGRIN1GRIN2AACHE |
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 |
|---|---|---|---|---|---|---|---|
| CN-108137547-A | It can be used as the heterocyclic compound of TNF α conditioning agent | 百时美施贵宝公司 | 2018-06-08 | — | — | CN | disclosed |