Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.37 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | BCAT1 | P54687 | 1/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | MMP2 | P08253 | 3/20 | 0.33 |
| ▸ | LMNA | P02545 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | RORC | P51449 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | RAB9A | P51151 | 2/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | NPC1 | O15118 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL10965087 | 1.00 | GAA (0.37) | GAAMCOLN3HTTKDM4EMAPT | |
| SCHEMBL11067901 | 0.93 | MAPT (0.33) | GAAMCOLN3HTTKDM4EMAPT | |
| SCHEMBL16865205 | 0.81 | CYP3A4 (0.36) | GAAMCOLN3HTTSMN1; SMN2LMNA | |
| SCHEMBL28922134 | 0.76 | ALDH1A1 (0.46) | GAAHTTKDM4EMAPTSMN1; SMN2 | |
| SCHEMBL16865182 | 0.74 | GAA (0.43) | GAAMCOLN3SMN1; SMN2LMNAKMT2A | |
| SCHEMBL15024695 | 0.73 | CYP3A4 (0.50) | GAASMN1; SMN2MMP2KMT2ACYP3A4 | |
| SCHEMBL12020283 | 0.69 | SLC6A2 (0.44) | KDM4ELMNAMAPK1 | |
| SCHEMBL11049510 | 0.69 | GAA (0.38) | GAAMCOLN3LMNAMAPK1CYP3A4 | |
| SCHEMBL14364486 | 0.68 | KMT2A (0.44) | HTTKDM4EMAPTBCAT1SMN1; SMN2 | |
| SCHEMBL16865191 | 0.68 | MAPT (0.41) | GAAMCOLN3HTTKDM4EMAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-4446077-A | Substituted-cyclopropyl sulfones | NATIONAL DISTILLERS AND CHEMICAL CORPORATION (US) | 1984-05-01 | — | — | US | disclosed |