Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NT5E | P21589 | 1/20 | 0.60 |
| ▸ | JAK2 | O60674 | 1/20 | 0.54 |
| ▸ | TYK2 | P29597 | 1/20 | 0.54 |
| ▸ | HTT | P42858 | 2/20 | 0.53 |
| ▸ | LMNA | P02545 | 1/20 | 0.53 |
| ▸ | ROCK2 | O75116 | 5/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.52 |
| ▸ | CYP3A5 | P20815 | 1/20 | 0.52 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.50 |
| ▸ | KCNK3 | O14649 | 2/20 | 0.50 |
| ▸ | NPC1 | O15118 | 1/20 | 0.50 |
| ▸ | RAB9A | P51151 | 1/20 | 0.50 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | SIRT2 | Q8IXJ6 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.48 |
| ▸ | MEN1 | O00255 | 2/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL11078859 | 0.88 | HDAC1 (0.59) | HTTLMNAKDM4EKCNK3NPC1 | |
| SCHEMBL11079972 | 0.86 | ALDH1A1 (0.59) | HTTLMNANPC1RAB9AL3MBTL1 | |
| SCHEMBL11081421 | 0.84 | NPSR1 (0.53) | KMT2AALDH1A1 | |
| SCHEMBL13701736 | 0.81 | NT5E (0.67) | NT5EJAK2TYK2HTTLMNA | |
| SCHEMBL12057348 | 0.78 | NT5E (0.67) | NT5EJAK2TYK2HTTLMNA | |
| SCHEMBL11075282 | 0.77 | PTPN1 (0.57) | HTTLMNAKDM4ENPC1RAB9A | |
| SCHEMBL3646841 | 0.76 | NT5E (0.68) | NT5EJAK2TYK2HTTLMNA | |
| SCHEMBL12017611 | 0.76 | NT5E (1.00) | NT5EJAK2TYK2HTTLMNA | |
| SCHEMBL11080788 | 0.76 | LMNA (0.49) | LMNAROCK2CYP3A4ROCK1KDM4E | |
| SCHEMBL13702285 | 0.75 | NT5E (0.67) | NT5EJAK2TYK2HTTLMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0119428-A2 | Biscarboxamides for treating diseases, and process for their preparation | BAYER AG (DE) | 1984-09-26 | — | — | EP | disclosed |