Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC1A1 | P43005 | 2/20 | 0.49 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.44 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.44 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.41 |
| ▸ | IDO1 | P14902 | 1/20 | 0.41 |
| ▸ | TDO2 | P48775 | 1/20 | 0.41 |
| ▸ | SLC6A9 | P48067 | 2/20 | 0.40 |
| ▸ | SLC6A5 | Q9Y345 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 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 | |
|---|---|---|---|---|
| SCHEMBL19696914 | 0.94 | SLC1A1 (0.54) | SLC1A1HDAC4HDAC7HDAC5CES2 | |
| SCHEMBL22088893 | 0.90 | SLC1A1 (0.46) | SLC1A1HDAC4HDAC7HDAC5CES2 | |
| SCHEMBL19696805 | 0.90 | SLC1A1 (0.46) | SLC1A1HDAC4HDAC7HDAC5CES2 | |
| SCHEMBL7103759 | 0.89 | LMNA (0.45) | SLC1A1EPHX1CNR2 | |
| SCHEMBL7103757 | 0.89 | LMNA (0.45) | SLC1A1EPHX1CNR2 | |
| SCHEMBL4799034 | 0.87 | SLC1A1 (0.47) | SLC1A1HDAC4HDAC7HDAC5 | |
| SCHEMBL3164836 | 0.87 | SLC1A1 (0.47) | SLC1A1HDAC4HDAC7HDAC5 | |
| SCHEMBL18627316 | 0.85 | SLC1A1 (0.42) | SLC1A1HDAC4HDAC7HDAC5CES2 | |
| Hydrochloric Acid SCHEMBL4798059 | 0.85 | SLC1A1 (0.46) | SLC1A1HDAC4HDAC7HDAC5IDO1 | |
| SCHEMBL18627259 | 0.84 | SLC1A3 (0.46) | SLC1A1CES2EPHX1IDO1TDO2 |
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-9840478-B2 | Piperazine derivatives as HIV protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2017-12-12 | — | — | US | disclosed |