Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.43 |
| ▸ | PRCP | P42785 | 2/20 | 0.42 |
| ▸ | CTSC | P53634 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | TLR2 | O60603 | 3/20 | 0.40 |
| ▸ | TLR1 | Q15399 | 3/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | BCHE | P06276 | 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL9595917 | 0.94 | CTSC (0.40) | HRH3PRCPCTSCHPGDMAPT | |
| Trifluoroacetic Acid SCHEMBL9054201 | 0.79 | NCEH1 (0.38) | CTSCHPGD | |
| SCHEMBL6412333 | 0.78 | L3MBTL1 (0.47) | HRH3CTSC | |
| SCHEMBL951361 | 0.77 | HRH3 (0.50) | HRH3CTSCHPGDMAPT | |
| SCHEMBL3961763 | 0.77 | HRH3 (0.50) | HRH3CTSCHPGDMAPT | |
| SCHEMBL23260557 | 0.77 | HRH3 (0.50) | HRH3CTSCHPGDMAPT | |
| SCHEMBL950955 | 0.77 | HRH3 (0.50) | HRH3CTSCHPGDMAPT | |
| SCHEMBL7733533 | 0.77 | EPHX2 (0.40) | HRH3 | |
| SCHEMBL464484 | 0.76 | HRH3 (0.52) | HRH3 | |
| SCHEMBL14037635 | 0.76 | HRH3 (0.52) | HRH3 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0696277-A1 | HIV PROTEASE INHIBITORS USEFUL FOR THE TREATMENT OF AIDS | MERCK & CO. INC. (US) | 1996-02-14 | — | — | EP | disclosed |
| WO-1994022480-A1 | HIV PROTEASE INHIBITORS IN PHARMACEUTICAL COMBINATIONS FOR THE TREATMENT OF AIDS | MERCK & CO., INC. (US) | 1994-10-13 | — | — | WO | disclosed |