Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 2/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.42 |
| ▸ | AAK1 | Q2M2I8 | 3/20 | 0.36 |
| ▸ | CHRNB4 | P30926 | 4/20 | 0.34 |
| ▸ | CHRNA3 | P32297 | 4/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 1/20 | 0.34 |
| ▸ | CHRNB2 | P17787 | 1/20 | 0.34 |
| ▸ | CHRNA4 | P43681 | 1/20 | 0.34 |
| ▸ | NOS3 | P29474 | 1/20 | 0.34 |
| ▸ | NOS1 | P29475 | 1/20 | 0.34 |
| ▸ | HTR1A | P08908 | 1/20 | 0.33 |
| ▸ | HTR1D | P28221 | 1/20 | 0.33 |
| ▸ | HTR1F | P30939 | 1/20 | 0.33 |
| ▸ | RAF1 | P04049 | 1/20 | 0.33 |
| ▸ | BRAF | P15056 | 1/20 | 0.33 |
| ▸ | ASH1L | Q9NR48 | 1/20 | 0.32 |
| ▸ | AVPR1A | P37288 | 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 | |
|---|---|---|---|---|
| SCHEMBL29769101 | 1.00 | GAA (0.45) | GAAMAPTKDM4ESMN1; SMN2AAK1 | |
| SCHEMBL31392972 | 0.92 | MAPT (0.41) | GAAMAPTKDM4ESMN1; SMN2AAK1 | |
| SCHEMBL29769194 | 0.87 | GAA (0.42) | GAAMAPTKDM4ESMN1; SMN2AAK1 | |
| SCHEMBL24629450 | 0.87 | GAA (0.42) | GAAMAPTKDM4ESMN1; SMN2AAK1 | |
| SCHEMBL566036 | 0.82 | LMNA (0.46) | MAPTHTTNOS3NOS1HTR1A | |
| SCHEMBL14647203 | 0.82 | CHRM2 (0.38) | ALDH1A1HTR1AHTR1DHTR1FAVPR1A | |
| SCHEMBL21455017 | 0.80 | SOS1 (0.45) | GAAMAPTKDM4ESMN1; SMN2AAK1 | |
| SCHEMBL20868007 | 0.79 | AAK1 (0.51) | GAAMAPTKDM4ESMN1; SMN2AAK1 | |
| SCHEMBL21455348 | 0.79 | AAK1 (0.51) | GAAMAPTKDM4ESMN1; SMN2AAK1 | |
| SCHEMBL17076642 | 0.79 | AAK1 (0.51) | GAAMAPTKDM4ESMN1; SMN2AAK1 |
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-2022150574-A1 | INHIBITORS OF MYCOBACTERIUM TUBERCULOSIS LIPOAMIDE DEHYDROGENASE | CORNELL UNIVERSITY (US) | 2022-07-14 | — | — | WO | disclosed |