Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.44 |
| ▸ | LDHA | P00338 | 1/20 | 0.43 |
| ▸ | LDHB | P07195 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | SCN9A | Q15858 | 1/20 | 0.39 |
| ▸ | MAP4K4 | O95819 | 1/20 | 0.39 |
| ▸ | BRD4 | O60885 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 4/20 | 0.39 |
| ▸ | RAB9A | P51151 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | AHR | P35869 | 1/20 | 0.39 |
| ▸ | GFER | P55789 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ATM | Q13315 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL29071894 | 0.84 | GFER (0.56) | KDM4ESMN1; SMN2ALDH1A1MAP4K4NPC1 | |
| SCHEMBL10463528 | 0.77 | BRD4 (0.47) | KDM4ESMN1; SMN2ALDH1A1BRD4NPC1 | |
| SCHEMBL10462641 | 0.76 | ABCB1 (0.43) | ABCB1KDM4ESMN1; SMN2ALDH1A1BRD4 | |
| SCHEMBL10462363 | 0.76 | BRD4 (0.46) | KDM4ESMN1; SMN2ALDH1A1BRD4NPC1 | |
| SCHEMBL3243756 | 0.76 | BRD4 (0.36) | LDHALDHBKDM4ESMN1; SMN2BRD4 | |
| SCHEMBL10462777 | 0.75 | RAB9A (0.45) | KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A | |
| SCHEMBL28634946 | 0.75 | BRD4 (0.45) | KDM4ESMN1; SMN2ALDH1A1SCN9ABRD4 | |
| SCHEMBL28697595 | 0.74 | ABCB1 (0.60) | ABCB1KDM4ESMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL31748281 | 0.74 | AR (0.46) | — | |
| SCHEMBL7928003 | 0.74 | NOTUM (0.40) | KDM4ESMN1; SMN2ALDH1A1MAPTMEN1 |
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-113943242-B | Preparation method of polysubstituted pyrrole compound | 浙江工业大学 | 2023-08-15 | — | — | CN | disclosed |