Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.65 |
| ▸ | BACE1 | P56817 | 1/20 | 0.65 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.62 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.62 |
| ▸ | MGLL | Q99685 | 1/20 | 0.59 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.58 |
| ▸ | GAA | P10253 | 1/20 | 0.56 |
| ▸ | MAPT | P10636 | 1/20 | 0.56 |
| ▸ | TSHR | P16473 | 1/20 | 0.55 |
| ▸ | PTPN2 | P17706 | 1/20 | 0.55 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.55 |
| ▸ | PTPN6 | P29350 | 1/20 | 0.55 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.52 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.52 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.51 |
| ▸ | ABL1 | P00519 | 1/20 | 0.51 |
| ▸ | RIN1 | Q13671 | 1/20 | 0.51 |
| ▸ | STS | P08842 | 1/20 | 0.51 |
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 | |
|---|---|---|---|---|
| SCHEMBL28685994 | 1.00 | ACHE (0.65) | ACHEBACE1SMN1; SMN2KMT2AMGLL | |
| SCHEMBL12847604 | 0.86 | PTPN2 (0.57) | ACHEBACE1KMT2AKDM4EPTPN2 | |
| SCHEMBL26025076 | 0.83 | PTPN2 (0.54) | KMT2AKDM4ETSHRPTPN2PTPN1 | |
| SCHEMBL30496051 | 0.83 | PTPN2 (0.54) | KMT2AKDM4ETSHRPTPN2PTPN1 | |
| SCHEMBL25362245 | 0.83 | PTPN2 (0.54) | KMT2AKDM4ETSHRPTPN2PTPN1 | |
| SCHEMBL742791 | 0.83 | GAA (0.55) | ACHEBACE1SMN1; SMN2KMT2AMGLL | |
| SCHEMBL762544 | 0.83 | GAA (0.55) | ACHEBACE1SMN1; SMN2KMT2AMGLL | |
| SCHEMBL29686111 | 0.82 | PTPN2 (0.71) | ACHEBACE1KDM4EMAPTPTPN2 | |
| SCHEMBL1317618 | 0.82 | PTPN2 (0.71) | ACHEBACE1KDM4EMAPTPTPN2 | |
| SCHEMBL29971632 | 0.82 | PTPN2 (0.71) | ACHEBACE1KDM4EMAPTPTPN2 |
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-113354635-B | Pyrrolidine integrin regulator and application thereof | 清药同创(北京)药物研发中心有限公司 | 2023-04-18 | — | — | CN | disclosed |
| CN-113354635-A | Pyrrolidine integrin regulator and application thereof | 清药同创(北京)药物研发中心有限公司 | 2021-09-07 | — | — | CN | disclosed |