Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.47 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 2/20 | 0.45 |
| ▸ | RELA | Q04206 | 1/20 | 0.45 |
| ▸ | MAOB | P27338 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
| ▸ | MTNR1B | P49286 | 1/20 | 0.43 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.43 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.43 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.43 |
| ▸ | ACHE | P22303 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | HSD17B3 | P37058 | 1/20 | 0.41 |
| ▸ | KCNN4 | O15554 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Bromomethane SCHEMBL27848588 | 0.86 | ALDH1A1 (0.50) | CES2CES1HDAC1HDAC6RELA | |
| SCHEMBL18867939 | 0.86 | — | — | |
| SCHEMBL30437684 | 0.86 | — | — | |
| SCHEMBL6204215 | 0.86 | — | — | |
| SCHEMBL63128 | 0.86 | — | — | |
| Propionic Acid SCHEMBL27484828 | 0.84 | GAA (0.49) | CES2CES1HDAC1HDAC6PARP1 | |
| SCHEMBL27780159 | 0.84 | GAA (0.49) | CES2CES1HDAC1HDAC6PARP1 | |
| Methylamine SCHEMBL27692684 | 0.84 | ALDH1A1 (0.48) | PARP1MAOBALDH1A1MAPK1ACHE | |
| Formaldehyde SCHEMBL28836070 | 0.84 | MAOB (0.47) | CES2CES1HDAC1HDAC6PARP1 | |
| Fluoride SCHEMBL25408744 | 0.84 | MAOB (0.50) | CES2CES1HDAC1HDAC6RELA |
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-1090617-C | Pyrrole derivatives and pharmaceutical compositions | NIPPON SHINYAKU CO LTD (JP) | 2002-09-11 | — | — | CN | disclosed |
| CN-1349796-A | Pyrrole derivatives and medicine composition | NIPPON SHINYAKU CO LTD (JP) | 2002-05-22 | — | — | CN | disclosed |
| CN-1186485-A | Pyrrole derivatives and pharmaceutical compositions | NIPPON SHINYAKU CO LTD (JP) | 1998-07-01 | — | — | CN | disclosed |