Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | HCAR3 | P49019 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 4/20 | 0.35 |
| ▸ | MEN1 | O00255 | 1/20 | 0.35 |
| ▸ | PABPC1 | P11940 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.35 |
| ▸ | GRIA1 | P42261 | 2/20 | 0.33 |
| ▸ | GRIA2 | P42262 | 2/20 | 0.33 |
| ▸ | GRIA3 | P42263 | 2/20 | 0.33 |
| ▸ | GRIA4 | P48058 | 2/20 | 0.33 |
| ▸ | PTGES | O14684 | 2/20 | 0.33 |
| ▸ | GRN | P28799 | 1/20 | 0.33 |
| ▸ | SORT1 | Q99523 | 1/20 | 0.33 |
| ▸ | HTT | P42858 | 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 | |
|---|---|---|---|---|
| SCHEMBL16442926 | 0.80 | MEN1 (0.41) | HCAR3L3MBTL1ALDH1A1GAAKDM4E | |
| SCHEMBL23656484 | 0.77 | GRIA4 (0.44) | NPC1HCAR3L3MBTL1MAPTPOLB | |
| SCHEMBL9914070 | 0.77 | NPC1 (0.57) | NPC1HCAR3L3MBTL1MAPTPOLB | |
| SCHEMBL903085 | 0.77 | NPSR1 (0.37) | NPC1L3MBTL1ALDH1A1GAAPOLB | |
| SCHEMBL23362848 | 0.76 | NPC1 (0.37) | NPC1HCAR3L3MBTL1MAPTPOLB | |
| SCHEMBL15897056 | 0.76 | NPC1 (0.37) | NPC1HCAR3L3MBTL1MAPTPOLB | |
| SCHEMBL20614568 | 0.75 | SMN1; SMN2 (0.41) | ALDH1A1KDM4EKMT2ASMN1; SMN2 | |
| SCHEMBL14258066 | 0.74 | NPC1 (0.44) | NPC1HCAR3L3MBTL1MAPTPOLB | |
| SCHEMBL4763456 | 0.73 | MAPT (0.44) | L3MBTL1MAPTALDH1A1GAAPOLB | |
| SCHEMBL1889853 | 0.71 | L3MBTL1 (0.43) | NPC1L3MBTL1MAPTALDH1A1GAA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2703406-A1 | NOVEL CEPHEM COMPOUND HAVING CATECHOL OR PSEUDO-CATECHOL STRUCTURE | Shionogi & Co., Ltd. (JP) | 2014-03-05 | — | — | EP | disclosed |
| 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 |
| WO-2012033736-A1 | NOVEL PIPERAZINE ANALOGS AS BROAD-SPECTRUM INFLUENZA ANTIVIRALS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2012-03-15 | — | — | WO | disclosed |