Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | NQO2 | P16083 | 2/20 | 0.42 |
| ▸ | ELANE | P08246 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.39 |
| ▸ | CSNK2A2 | P19784 | 2/20 | 0.37 |
| ▸ | CSNK2B | P67870 | 2/20 | 0.37 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 3/20 | 0.36 |
| ▸ | GRIN2A | Q12879 | 3/20 | 0.36 |
| ▸ | ACHE | P22303 | 3/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | BCHE | P06276 | 1/20 | 0.36 |
| ▸ | DHFR | P00374 | 1/20 | 0.36 |
| ▸ | PBRM1 | Q86U86 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL26607337 | 0.85 | PARP1 (0.43) | ELANEPARP1GRIN1GRIN2AACHE | |
| SCHEMBL8127676 | 0.81 | NQO2 (0.44) | KDM4EALDH1A1GLANQO2ELANE | |
| SCHEMBL4788222 | 0.79 | PARP1 (0.46) | KDM4EALDH1A1GLANQO2ELANE | |
| SCHEMBL7524860 | 0.75 | KDM4E (0.44) | KDM4EALDH1A1NQO2PARP1TSHR | |
| SCHEMBL10611217 | 0.75 | SMN1; SMN2 (0.46) | KDM4EALDH1A1GLAACHE | |
| SCHEMBL11828023 | 0.75 | NT5E (0.43) | KDM4EALDH1A1GLANQO2ELANE | |
| SCHEMBL9398456 | 0.73 | GRM2 (0.46) | NQO2PARP1 | |
| SCHEMBL28219983 | 0.71 | TSHR (0.40) | KDM4EALDH1A1NQO2ELANEPARP1 | |
| SCHEMBL9397215 | 0.71 | PARP1 (0.37) | KDM4EALDH1A1GLANQO2ELANE | |
| SCHEMBL9379118 | 0.70 | NQO2 (0.51) | KDM4EALDH1A1NQO2PARP1TSHR |
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 |