Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PARP14 | Q460N5 | 3/20 | 0.53 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.53 |
| ▸ | RIPK1 | Q13546 | 2/20 | 0.47 |
| ▸ | CFB | P00751 | 1/20 | 0.46 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.44 |
| ▸ | NR1H2 | P55055 | 2/20 | 0.43 |
| ▸ | NR1H3 | Q13133 | 2/20 | 0.43 |
| ▸ | GPR119 | Q8TDV5 | 1/20 | 0.43 |
| ▸ | UCHL1 | P09936 | 1/20 | 0.43 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.43 |
| ▸ | OPRD1 | P41143 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | TMEM97 | Q5BJF2 | 2/20 | 0.42 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.42 |
| ▸ | PARP1 | P09874 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL31226567 | 0.86 | RIPK1 (0.49) | PARP14PARP10RIPK1NR1H2NR1H3 | |
| SCHEMBL30550978 | 0.86 | RIPK1 (0.49) | PARP14PARP10RIPK1NR1H2NR1H3 | |
| SCHEMBL322073 | 0.86 | RIPK1 (0.52) | RIPK1NR1H2NR1H3UCHL1ALDH1A1 | |
| SCHEMBL31226730 | 0.86 | RIPK1 (0.49) | PARP14PARP10RIPK1NR1H2NR1H3 | |
| SCHEMBL321319 | 0.86 | RIPK1 (0.52) | RIPK1NR1H2NR1H3UCHL1ALDH1A1 | |
| SCHEMBL25320429 | 0.86 | RIPK1 (0.49) | PARP14PARP10RIPK1NR1H2NR1H3 | |
| SCHEMBL26693383 | 0.85 | GPR119 (0.52) | PARP14PARP10RIPK1CFBCHEK2 | |
| SCHEMBL21611363 | 0.84 | RIPK1 (0.50) | RIPK1NR1H2NR1H3UCHL1ALDH1A1 | |
| SCHEMBL23646533 | 0.84 | RIPK1 (0.50) | RIPK1NR1H2NR1H3UCHL1ALDH1A1 | |
| SCHEMBL8214939 | 0.84 | ROCK2 (0.53) | RIPK1NR1H2NR1H3UCHL1ALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105849096-B | Piperidine derivatives having multimodal activity against pain | 埃斯蒂文制药股份有限公司 | 2019-11-29 | — | — | CN | disclosed |
| CN-105849096-A | Piperidine derivatives having multimodal activity against pain | 埃斯蒂文博士实验室股份有限公司 | 2016-08-10 | — | — | CN | disclosed |