Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 3/20 | 0.46 |
| ▸ | CES2 | O00748 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | ERCC5 | P28715 | 1/20 | 0.41 |
| ▸ | FEN1 | P39748 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 2/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1273132 | 1.00 | CES1 (0.46) | CES1CES2MAPTSMN1; SMN2HPGD | |
| SCHEMBL10595114 | 0.82 | CES1 (0.43) | CES1CES2MAPTSMN1; SMN2HPGD | |
| SCHEMBL3858962 | 0.82 | ALDH1A1 (0.50) | CES1CES2MAPTSMN1; SMN2HPGD | |
| SCHEMBL6666603 | 0.77 | CES1 (0.48) | CES1CES2MAPTSMN1; SMN2HPGD | |
| SCHEMBL5698374 | 0.76 | CES1 (0.52) | CES1CES2MAPTSMN1; SMN2HPGD | |
| SCHEMBL10615120 | 0.76 | CES1 (0.52) | CES1CES2MAPTSMN1; SMN2HPGD | |
| Benzoic Acid SCHEMBL11306418 | 0.76 | TSHR (0.61) | CES1CES2MAPTSMN1; SMN2HPGD | |
| SCHEMBL6517554 | 0.76 | KMT2A (0.59) | CES1CES2MAPTSMN1; SMN2HPGD | |
| SCHEMBL6517563 | 0.76 | KMT2A (0.59) | CES1CES2MAPTSMN1; SMN2HPGD | |
| SCHEMBL8147965 | 0.75 | TSHR (0.44) | CES1CES2MAPTSMN1; SMN2HPGD |
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-7879797-B2 | HCV NS3 protease inhibitors | MERCK SHARP & DOHME CORP. (US) | 2011-02-01 | — | — | US | disclosed |