Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.62 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.62 |
| ▸ | ATM | Q13315 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 1/20 | 0.53 |
| ▸ | ELANE | P08246 | 4/20 | 0.52 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | TARBP2 | Q15633 | 1/20 | 0.47 |
| ▸ | GAA | P10253 | 2/20 | 0.46 |
| ▸ | RXFP1 | Q9HBX9 | 2/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.45 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.45 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.45 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | PRNP | P04156 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL18449792 | 0.84 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2ATMMAPTELANE | |
| SCHEMBL13107065 | 0.83 | ATM (0.57) | ALDH1A1SMN1; SMN2ATMMAPTELANE | |
| SCHEMBL31442611 | 0.82 | ALDH1A1 (0.61) | ALDH1A1SMN1; SMN2ATMMAPTELANE | |
| SCHEMBL29267710 | 0.82 | ALDH1A1 (0.57) | ALDH1A1SMN1; SMN2ATMMAPTELANE | |
| SCHEMBL3101136 | 0.81 | ALDH1A1 (0.51) | ALDH1A1SMN1; SMN2ATMMAPTELANE | |
| SCHEMBL2004025 | 0.79 | ALDH1A1 (0.53) | ALDH1A1SMN1; SMN2ATMMAPTELANE | |
| SCHEMBL2000832 | 0.78 | SMN1; SMN2 (0.62) | ALDH1A1SMN1; SMN2ATMMAPTELANE | |
| SCHEMBL1999627 | 0.78 | ALDH1A1 (0.78) | ALDH1A1SMN1; SMN2ATMMAPTELANE | |
| SCHEMBL30165401 | 0.78 | ALDH1A1 (0.52) | ALDH1A1SMN1; SMN2ATMMAPTELANE | |
| SCHEMBL5810083 | 0.78 | ATM (0.79) | ALDH1A1SMN1; SMN2ATMMAPTELANE |
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-2017023905-A1 | HETEROCYCLIC COMPOUNDS USEFUL AS MODULATORS OF TNF ALPHA | BRISTOL-MYERS SQUIBB COMPANY (US) | 2017-02-09 | — | — | WO | disclosed |