Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 4/20 | 0.40 |
| ▸ | RAB9A | P51151 | 2/20 | 0.40 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | MAPT | P10636 | 4/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | POLB | P06746 | 2/20 | 0.38 |
| ▸ | RECQL | P46063 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.38 |
| ▸ | THRB | P10828 | 1/20 | 0.38 |
| ▸ | APEX1 | P27695 | 1/20 | 0.38 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.38 |
| ▸ | FEN1 | P39748 | 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 | |
|---|---|---|---|---|
| SCHEMBL16753028 | 0.85 | GAA (0.52) | CES2CES1HDAC3GAARAB9A | |
| SCHEMBL10859170 | 0.79 | CES2 (0.46) | CES2CES1HDAC3KDM4EGAA | |
| SCHEMBL11528635 | 0.78 | CES2 (0.57) | CES2CES1HDAC3KDM4EGAA | |
| SCHEMBL11360228 | 0.77 | — | — | |
| SCHEMBL14797981 | 0.77 | KMT2A (0.43) | CES2CES1HDAC3KDM4EGAA | |
| SCHEMBL3506264 | 0.76 | CES2 (0.59) | CES2CES1HDAC3KDM4EGAA | |
| SCHEMBL14797763 | 0.76 | NPC1 (0.40) | CES2CES1HDAC3KDM4EGAA | |
| SCHEMBL6519341 | 0.75 | — | — | |
| SCHEMBL6531416 | 0.75 | — | — | |
| SCHEMBL14798032 | 0.74 | CES2 (0.47) | CES2CES1KDM4EGAARAB9A |
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-7291628-B2 | Treatment of cocaine abuse using N-substituted derivatives of morphinan | MCLEAN HOSPITAL CORPORATION (US) | 2007-11-06 | — | — | US | disclosed |