Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.36 |
| ▸ | HTT | P42858 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | MMP1 | P03956 | 1/20 | 0.33 |
| ▸ | MMP2 | P08253 | 1/20 | 0.33 |
| ▸ | MMP3 | P08254 | 1/20 | 0.33 |
| ▸ | MMP9 | P14780 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | CHKA | P35790 | 1/20 | 0.32 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.31 |
| ▸ | MGLL | Q99685 | 2/20 | 0.31 |
| ▸ | PHGDH | O43175 | 1/20 | 0.31 |
| ▸ | ALDH2 | P05091 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL9737097 | 0.81 | CA2 (0.39) | CA2CHKA | |
| SCHEMBL2186918 | 0.77 | ATM (0.48) | ALDH1A1HPGDHTTLMNAATM | |
| SCHEMBL15526788 | 0.77 | ALDH1A1 (0.42) | ALDH1A1HPGDHTTLMNAATM | |
| SCHEMBL5312699 | 0.77 | ATM (0.48) | ALDH1A1HPGDHTTLMNAATM | |
| SCHEMBL5315426 | 0.77 | ATM (0.48) | ALDH1A1HPGDHTTLMNAATM | |
| SCHEMBL8475888 | 0.75 | ALDH1A1 (0.41) | ALDH1A1HPGDHTTLMNAATM | |
| SCHEMBL2184936 | 0.74 | ATM (0.50) | ALDH1A1LMNAATMMEN1KMT2A | |
| SCHEMBL21022743 | 0.73 | GAA (0.52) | ALDH1A1HTTATMGAATDP1 | |
| SCHEMBL22691652 | 0.72 | L3MBTL1 (0.41) | ALDH1A1HPGDATMMEN1KMT2A | |
| SCHEMBL8024247 | 0.69 | ALDH1A1 (0.61) | ALDH1A1HPGDHTTLMNAATM |
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-9518056-B2 | Inhibitors of influenza viruses replication | VERTEX PHARMACEUTICALS INCORPORATED (US) | 2016-12-13 | — | — | US | disclosed |