Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 5/20 | 0.40 |
| ▸ | CHRNB4 | P30926 | 1/20 | 0.36 |
| ▸ | CHRNA3 | P32297 | 1/20 | 0.36 |
| ▸ | MAOA | P21397 | 3/20 | 0.34 |
| ▸ | MAOB | P27338 | 3/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.34 |
| ▸ | RAB9A | P51151 | 5/20 | 0.33 |
| ▸ | MAPT | P10636 | 4/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.33 |
| ▸ | GLA | P06280 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | PRCP | P42785 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28825073 | 0.80 | CHRNB4 (0.31) | CHRNB4CHRNA3 | |
| SCHEMBL22546622 | 0.75 | NISCH (0.41) | NPC1CHRNB4CHRNA3MAOAMAOB | |
| SCHEMBL22546693 | 0.75 | NISCH (0.41) | NPC1CHRNB4CHRNA3MAOAMAOB | |
| SCHEMBL27884019 | 0.74 | TAAR1 (0.37) | NPC1CHRNB4CHRNA3RAB9ASMN1; SMN2 | |
| SCHEMBL29437712 | 0.72 | NISCH (0.39) | NPC1CHRNB4CHRNA3MAOAMAOB | |
| SCHEMBL5889312 | 0.69 | NOS1 (0.49) | NPC1CHRNB4CHRNA3MAOAMAOB | |
| SCHEMBL20080246 | 0.69 | MAOB (0.40) | NPC1CHRNB4CHRNA3MAOAMAOB | |
| SCHEMBL9542642 | 0.67 | RAB9A (0.39) | NPC1CHRNB4CHRNA3RAB9AMAPT | |
| SCHEMBL14328250 | 0.67 | RAB9A (0.39) | NPC1CHRNB4CHRNA3RAB9AMAPT | |
| SCHEMBL1660992 | 0.66 | NPC1 (0.78) | NPC1RAB9AMAPTSMN1; SMN2KMT2A |
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-110003073-B | Method for synthesizing 2-methyl-5-phenyl-3, 4-dihydro-2H-pyrrole compound | 苏州大学 | 2022-03-18 | — | — | CN | disclosed |