Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.40 |
| ▸ | GRIN1 | Q05586 | 4/20 | 0.40 |
| ▸ | GRIN2A | Q12879 | 4/20 | 0.40 |
| ▸ | ACHE | P22303 | 4/20 | 0.40 |
| ▸ | ELANE | P08246 | 2/20 | 0.39 |
| ▸ | PARP1 | P09874 | 2/20 | 0.39 |
| ▸ | BCHE | P06276 | 2/20 | 0.39 |
| ▸ | NQO2 | P16083 | 1/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | DHODH | Q02127 | 1/20 | 0.35 |
| ▸ | RAB9A | P51151 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL28219966 | 0.83 | PARP1 (0.42) | GRIN1GRIN2AACHEELANEPARP1 | |
| SCHEMBL4787075 | 0.79 | PARP1 (0.46) | TSHRMEN1KMT2ARXFP1KDM4E | |
| SCHEMBL626362 | 0.75 | DYRK1A (0.49) | TSHRMEN1KMT2ARXFP1KDM4E | |
| Water SCHEMBL25347465 | 0.73 | DYRK1A (0.48) | TSHRMEN1KMT2ARXFP1KDM4E | |
| SCHEMBL28219987 | 0.71 | KDM4E (0.42) | TSHRKDM4EALDH1A1GRIN1GRIN2A | |
| SCHEMBL18283409 | 0.70 | TDP1 (0.41) | GRIN1GRIN2AACHEELANEPARP1 | |
| SCHEMBL26607337 | 0.69 | PARP1 (0.43) | GRIN1GRIN2AACHEELANEPARP1 | |
| SCHEMBL6678089 | 0.68 | PARP1 (0.44) | TSHRMEN1KMT2ARXFP1KDM4E | |
| SCHEMBL29344541 | 0.68 | PARP1 (0.42) | TSHRMEN1KMT2ARXFP1KDM4E | |
| SCHEMBL28292981 | 0.68 | PARP1 (0.42) | GRIN1GRIN2AACHEELANEPARP1 |
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 |