Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | CASP3 | P42574 | 1/20 | 0.41 |
| ▸ | SENP7 | Q9BQF6 | 1/20 | 0.41 |
| ▸ | SENP6 | Q9GZR1 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 6/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 5/20 | 0.41 |
| ▸ | NPC1 | O15118 | 5/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.41 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.41 |
| ▸ | ERO1A | Q96HE7 | 1/20 | 0.38 |
| ▸ | HDAC1 | Q13547 | 2/20 | 0.38 |
| ▸ | FABP4 | P15090 | 1/20 | 0.37 |
| ▸ | FABP5 | Q01469 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL25928106 | 0.88 | HDAC1 (0.41) | ALDH1A1PTGS2CASP3SENP7SENP6 | |
| SCHEMBL25927861 | 0.84 | KMT2A (0.57) | ALDH1A1PTGS2CASP3SENP7SENP6 | |
| SCHEMBL25929182 | 0.79 | HDAC6 (0.42) | ALDH1A1PTGS2CASP3SENP7SENP6 | |
| SCHEMBL25928110 | 0.75 | HDAC6 (0.56) | ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A | |
| SCHEMBL18804048 | 0.71 | FABP4 (0.59) | ALDH1A1CASP3SENP7SENP6RAB9A | |
| SCHEMBL6250285 | 0.71 | PTGS2 (0.46) | ALDH1A1PTGS2CASP3RAB9ASMN1; SMN2 | |
| SCHEMBL26606502 | 0.69 | NPC1 (0.74) | ALDH1A1CASP3SENP7SENP6RAB9A | |
| SCHEMBL30576829 | 0.69 | NPC1 (0.74) | ALDH1A1CASP3SENP7SENP6RAB9A | |
| SCHEMBL363882 | 0.69 | PTPN1 (0.67) | RAB9ANPC1KMT2AKDM4ETDP1 | |
| SCHEMBL7545166 | 0.68 | NPC1 (0.71) | ALDH1A1RAB9ASMN1; SMN2NPC1KMT2A |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023138254-A1 | HETEROCYCLIC COMPOUND, AND ORGANIC ELECTROLUMINESCENT MATERIAL AND ELEMENT | 上海八亿时空先进材料有限公司 | 2023-07-27 | — | — | WO | disclosed |