Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.50 |
| ▸ | MEN1 | O00255 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.50 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | PTGES | O14684 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL1412553 | 0.81 | TP53 (0.56) | KMT2AALDH1A1TP53KDM4ESMN1; SMN2 | |
| SCHEMBL1930001 | 0.80 | ALDH1A1 (0.48) | GAAMEN1KMT2ANPSR1ALDH1A1 | |
| SCHEMBL24175273 | 0.78 | NPSR1 (0.41) | GAAMEN1KMT2ANPSR1ALDH1A1 | |
| SCHEMBL1930172 | 0.77 | NPSR1 (0.43) | GAAMEN1KMT2ANPSR1ALDH1A1 | |
| SCHEMBL3700954 | 0.77 | HTT (0.52) | GAAMEN1KMT2AALDH1A1TP53 | |
| SCHEMBL12284803 | 0.77 | GAA (0.44) | GAAMEN1KMT2ANPSR1ALDH1A1 | |
| SCHEMBL1412421 | 0.77 | GAA (0.41) | GAAMEN1KMT2ANPSR1ALDH1A1 | |
| SCHEMBL18179861 | 0.76 | BAZ2B (0.46) | GAANPSR1ALDH1A1TP53KDM4E | |
| SCHEMBL21728685 | 0.76 | KDM4E (0.45) | TP53KDM4ECYP1A2SMN1; SMN2L3MBTL1 | |
| Lithium Ion SCHEMBL14735946 | 0.76 | NPSR1 (0.42) | GAAMEN1KMT2ANPSR1ALDH1A1 |
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 |