Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 4/20 | 0.38 |
| ▸ | RAB9A | P51151 | 4/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | MCHR1 | Q99705 | 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 | |
|---|---|---|---|---|
| SCHEMBL16615202 | 0.77 | MAPT (0.42) | MAPTTP53SMN1; SMN2ALDH1A1LMNA | |
| SCHEMBL20859464 | 0.69 | MAPT (0.41) | MAPTTP53SMN1; SMN2NPC1RAB9A | |
| SCHEMBL17969745 | 0.67 | KDM4E (0.39) | MAPTALDH1A1KDM4E | |
| SCHEMBL20859307 | 0.66 | PLAAT3 (0.33) | L3MBTL1MAPTTP53SMN1; SMN2NPC1 | |
| SCHEMBL17969728 | 0.65 | ALK (0.49) | — | |
| SCHEMBL16615279 | 0.64 | HDAC1 (0.33) | — | |
| SCHEMBL16615259 | 0.63 | GAA (0.41) | MAPTTP53SMN1; SMN2NPC1RAB9A | |
| SCHEMBL16615167 | 0.62 | MAP4K3 (0.31) | — | |
| SCHEMBL14456882 | 0.58 | MCHR1 (0.60) | SMN1; SMN2NPC1RAB9AALDH1A1KDM4E | |
| SCHEMBL16615321 | 0.58 | ALK (0.48) | MAPTALDH1A1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3050884-A1 | NOVEL CHEMICAL COMPOUNDS (VARIANTS) AND THE USE THEREOF TO TREAT ONCOLOGICAL DISEASES | Limited Liability Company "National Pharmaceutical (RU) | 2016-08-03 | — | — | EP | disclosed |
| WO-2015047133-A1 | NOVEL CHEMICAL COMPOUNDS (VARIANTS) AND THE USE THEREOF TO TREAT ONCOLOGICAL DISEASES | ОБЩЕСТВО С ОГРАНИЧЕННОЙ ОТВЕТСТВЕННОСТЬЮ "ОТЕЧЕСТВЕННЫЕ ФАРМАЦЕВТИЧЕСКИЕ ТЕХНОЛОГИИ" | 2015-04-02 | — | — | WO | disclosed |