Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.48 |
| ▸ | CES1 | P23141 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.46 |
| ▸ | FEN1 | P39748 | 1/20 | 0.46 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.40 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | JAK2 | O60674 | 1/20 | 0.39 |
| ▸ | TYK2 | P29597 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | GABRP | O00591 | 1/20 | 0.38 |
| ▸ | GABRD | O14764 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL28100608 | 0.82 | CES2 (0.48) | CES2CES1ALDH1A1ERCC5FEN1 | |
| SCHEMBL10717928 | 0.76 | ERCC5 (0.44) | CES2CES1ALDH1A1ERCC5FEN1 | |
| SCHEMBL4707495 | 0.76 | CES2 (0.54) | CES2CES1ALDH1A1ERCC5FEN1 | |
| SCHEMBL1318546 | 0.75 | ERCC5 (0.58) | CES2CES1ALDH1A1ERCC5FEN1 | |
| SCHEMBL30839506 | 0.75 | ERCC5 (0.58) | CES2CES1ALDH1A1ERCC5FEN1 | |
| SCHEMBL11001393 | 0.73 | RECQL (0.46) | CES2CES1ALDH1A1ERCC5FEN1 | |
| Hydrochloric Acid SCHEMBL23780883 | 0.73 | ERCC5 (0.56) | CES2CES1ALDH1A1ERCC5FEN1 | |
| SCHEMBL8653177 | 0.73 | ALDH1A1 (0.53) | CES2CES1ALDH1A1ERCC5FEN1 | |
| SCHEMBL28147982 | 0.73 | CES2 (0.50) | CES2CES1ALDH1A1ERCC5FEN1 | |
| SCHEMBL30725459 | 0.72 | CES2 (0.60) | CES2CES1ALDH1A1ERCC5FEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4549988-A | ANTICONVULSANTS, ANTIDEPRESSANTS, MUSCLE RELAXANTS, CHEMICAL INTERMEDIATES | HOFFMANN-LA ROCHE INC. (US) | 1985-10-29 | — | — | US | disclosed |