Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.51 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | PKM | P14618 | 1/20 | 0.42 |
| ▸ | EPHX2 | P34913 | 2/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.40 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 2/20 | 0.40 |
| ▸ | ANPEP | P15144 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL15411973 | 1.00 | SMN1; SMN2 (0.51) | SMN1; SMN2MAPK1HPGDLMNAPKM | |
| SCHEMBL21570179 | 0.82 | HDAC1 (0.53) | SMN1; SMN2MAPK1HPGDLMNAPKM | |
| SCHEMBL5808627 | 0.82 | HDAC1 (0.53) | SMN1; SMN2MAPK1HPGDLMNAPKM | |
| SCHEMBL5819414 | 0.77 | SMN1; SMN2 (0.52) | SMN1; SMN2MAPK1HPGDLMNAPKM | |
| SCHEMBL8089676 | 0.74 | SMN1; SMN2 (0.57) | SMN1; SMN2MAPK1HPGDEPHX2HDAC3 | |
| SCHEMBL8085372 | 0.74 | SMN1; SMN2 (0.57) | SMN1; SMN2MAPK1HPGDEPHX2HDAC3 | |
| SCHEMBL12807096 | 0.73 | KMT2A (0.47) | MAPK1KMT2AMEN1ANPEPATM | |
| SCHEMBL17867024 | 0.73 | PLA2G2A (0.35) | SMN1; SMN2EPHX2 | |
| SCHEMBL12807097 | 0.73 | KMT2A (0.47) | MAPK1KMT2AMEN1ANPEPATM | |
| SCHEMBL27860159 | 0.73 | KMT2A (0.47) | MAPK1KMT2AMEN1ANPEPATM |
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-105985405-A | 3-amino-2-hydroxy-4-phenyl-valyl-isoleucine derivative and application thereof | 上海来益生物药物研究开发中心有限责任公司 | 2016-10-05 | — | — | CN | disclosed |
| CN-105001301-A | 3-amino-2-hydroxy-4-phenyl-valyl-isoleucine synthesis method | SHANGHAI LAIYI BIOMEDICAL RES AND DEV CT CO LTD | 2015-10-28 | — | — | CN | disclosed |