Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACSS2 | Q9NR19 | 7/20 | 0.39 |
| ▸ | AURKA | O14965 | 1/20 | 0.37 |
| ▸ | PIN1 | Q13526 | 4/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 2/20 | 0.35 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.34 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.33 |
| ▸ | IKBKB | O14920 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CCNC | P24863 | 1/20 | 0.32 |
| ▸ | CDK8 | P49336 | 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 | |
|---|---|---|---|---|
| SCHEMBL7481103 | 0.93 | PIN1 (0.35) | ACSS2PIN1HDAC6HDAC1L3MBTL1 | |
| SCHEMBL7421962 | 0.92 | PIN1 (0.35) | ACSS2PIN1HDAC6HDAC1L3MBTL1 | |
| SCHEMBL7489355 | 0.91 | PIN1 (0.34) | ACSS2PIN1HDAC6HDAC1L3MBTL1 | |
| SCHEMBL7490565 | 0.91 | PIN1 (0.41) | ACSS2PIN1 | |
| SCHEMBL7482513 | 0.91 | PIN1 (0.41) | ACSS2PIN1L3MBTL1NR1H4 | |
| SCHEMBL7489855 | 0.90 | PIN1 (0.46) | ACSS2AURKAPIN1L3MBTL1IKBKB | |
| Hydrochloric Acid SCHEMBL7478353 | 0.89 | PIN1 (0.45) | ACSS2AURKAPIN1L3MBTL1IKBKB | |
| SCHEMBL7482199 | 0.89 | PIN1 (0.38) | ACSS2PIN1IKBKB | |
| SCHEMBL7482906 | 0.88 | IKBKB (0.37) | ACSS2PIN1HDAC6HDAC1L3MBTL1 | |
| SCHEMBL7479311 | 0.83 | ACSS2 (0.37) | ACSS2PIN1HDAC6HDAC1 |
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-2000020400-A1 | NOVEL COMPOUNDS AND COMPOSITIONS FOR TREATING HEPATITIS C INFECTIONS | AXYS PHARMACEUTICALS, INC. (US) | 2000-04-13 | — | — | WO | disclosed |