Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 4/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.32 |
| ▸ | MAPT | P10636 | 3/20 | 0.32 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 2/20 | 0.31 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL10081881 | 0.74 | KDM4E (0.40) | GAAALDH1A1MAPTKDM4ELMNA | |
| SCHEMBL470298 | 0.72 | HCAR2 (0.36) | — | |
| SCHEMBL18984612 | 0.70 | BRD4 (0.40) | ALDH1A1MAPTLMNABRD4 | |
| SCHEMBL8305745 | 0.65 | ALDH1A1 (0.39) | GAAALDH1A1MAPTAGTR1TDP1 | |
| SCHEMBL903112 | 0.64 | TSHR (0.32) | ALDH1A1 | |
| Hydrochloric Acid SCHEMBL31247895 | 0.64 | PLAT (0.42) | LMNABRD4 | |
| SCHEMBL903082 | 0.63 | ALDH1A1 (0.33) | GAAALDH1A1KDM4ELMNA | |
| SCHEMBL903089 | 0.62 | GAA (0.34) | GAAALDH1A1MAPTAGTR1KDM4E | |
| SCHEMBL903102 | 0.62 | — | — | |
| SCHEMBL12021938 | 0.62 | SMN1; SMN2 (0.34) | GAAALDH1A1MAPTAGTR1KDM4E |
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-2012044531-A1 | NOVEL PIPERAZINE ANALOGS WITH SUBSTITUTED HETEROARYL GROUPS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-04-05 | — | — | WO | disclosed |