Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABCB1 | P08183 | 1/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.34 |
| ▸ | PPARG | P37231 | 2/20 | 0.33 |
| ▸ | PPARA | Q07869 | 2/20 | 0.33 |
| ▸ | CTSB | P07858 | 2/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.33 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.33 |
| ▸ | SLC1A2 | P43004 | 2/20 | 0.33 |
| ▸ | SLC1A1 | P43005 | 2/20 | 0.33 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.33 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.33 |
| ▸ | LTA4H | P09960 | 1/20 | 0.33 |
| ▸ | LAP3 | P28838 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL7269426 | 0.93 | PPARG (0.38) | ABCB1ALDH1A1PPARGPPARAMEN1 | |
| SCHEMBL7267943 | 0.91 | PPARG (0.41) | ABCB1ALDH1A1PPARGPPARAKMT2A | |
| SCHEMBL7289391 | 0.81 | ABCB1 (0.39) | ABCB1CTSBCYP1A2SLC1A3SLC1A2 | |
| SCHEMBL6925970 | 0.78 | SLC15A1 (0.42) | ABCB1EPHX1CYP1A2SLC1A3SLC1A2 | |
| SCHEMBL8660600 | 0.76 | ABCB1 (0.37) | ABCB1ALDH1A1CTSBMEN1KMT2A | |
| SCHEMBL10686536 | 0.75 | CYP1A2 (0.43) | PPARGPPARACYP1A2SLC1A3SLC1A2 | |
| SCHEMBL10873777 | 0.73 | SLC1A1 (0.45) | ALDH1A1PPARGPPARACYP1A2SLC1A3 | |
| SCHEMBL10925477 | 0.72 | EPHX1 (0.37) | EPHX1CYP1A2SLC1A3SLC1A2SLC1A1 | |
| SCHEMBL7281228 | 0.72 | AKT1 (0.43) | ABCB1CTSB | |
| SCHEMBL5275334 | 0.72 | CSNK1E (0.49) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5652369-A | PROTEASE INHIBITOR | HOFFMANN-LA ROCHE INC. (US) | 1997-07-29 | — | — | US | disclosed |
| US-5620987-A | Amino acid derivatives | HOFFMANN-LA ROCHE INC. (US) | 1997-04-15 | — | — | US | disclosed |
| US-5554756-A | PROTEASE INHIBITOR | HOFFMANN-LA ROCHE INC. (US) | 1996-09-10 | — | — | US | disclosed |
| US-5446161-A | Protease inhibitor, viricides | HOFFMANN-LA ROCHE INC. (US) | 1995-08-29 | — | — | US | disclosed |
| EP-0346847-B1 | Amino acid derivatives | HOFFMANN LA ROCHE (CH) | 1994-05-11 | — | — | EP | disclosed |
| US-5157041-A | Viricides | HOFFMANN-LA ROCHE INC. (US) | 1992-10-20 | — | — | US | disclosed |
| EP-0346847-A2 | Amino acid derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 1989-12-20 | — | — | EP | disclosed |