Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | PARP1 | P09874 | 2/20 | 0.44 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.44 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.42 |
| ▸ | CES1 | P23141 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.42 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | RELA | Q04206 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | CTSL | P07711 | 1/20 | 0.40 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.40 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.40 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | SLC6A19 | Q695T7 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| Propionic Acid SCHEMBL27484828 | 0.89 | GAA (0.49) | GAAPARP1L3MBTL1MAOBCES2 | |
| SCHEMBL27292973 | 0.86 | GAA (0.56) | GAAPARP1L3MBTL1MEN1KMT2A | |
| SCHEMBL27590743 | 0.86 | CES2 (0.50) | PARP1CES2CES1HDAC1HDAC6 | |
| Acetone SCHEMBL27429251 | 0.84 | CES2 (0.48) | GAAPARP1MAOBCES2CES1 | |
| Bromomethane SCHEMBL27848588 | 0.80 | ALDH1A1 (0.50) | MAOBCES2CES1HDAC1HDAC6 | |
| SCHEMBL63128 | 0.79 | — | — | |
| SCHEMBL6204215 | 0.79 | — | — | |
| SCHEMBL30437684 | 0.79 | — | — | |
| SCHEMBL18867939 | 0.79 | — | — | |
| Propionaldehyde SCHEMBL27780161 | 0.79 | ALDH1A1 (0.44) | GAAPARP1L3MBTL1MAOBCES2 |
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 |
|---|---|---|---|---|---|---|---|
| CN-101534829-B | Hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2015-06-17 | — | — | CN | disclosed |
| CN-101534829-A | Hepatitis C virus inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2009-09-16 | — | — | CN | disclosed |
| CN-1306511-A | Novel heterocyclic compounds | NOVO NORDISK AS (DK) | 2001-08-01 | — | — | CN | disclosed |