Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | ALPI | P09923 | 1/20 | 0.38 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | XIAP | P98170 | 1/20 | 0.38 |
| ▸ | SLC7A5 | Q01650 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CTSD | P07339 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 2/20 | 0.36 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.36 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.36 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.36 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.36 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.36 |
| ▸ | CPA1 | P15085 | 1/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL2059512 | 1.00 | EPHX1 (0.39) | EPHX1HPGDALPIPKMPTGS1 | |
| SCHEMBL11913036 | 1.00 | EPHX1 (0.39) | EPHX1HPGDALPIPKMPTGS1 | |
| SCHEMBL14600170 | 1.00 | EPHX1 (0.39) | EPHX1HPGDALPIPKMPTGS1 | |
| SCHEMBL2059511 | 1.00 | EPHX1 (0.39) | EPHX1HPGDALPIPKMPTGS1 | |
| SCHEMBL5204924 | 1.00 | EPHX1 (0.39) | EPHX1HPGDALPIPKMPTGS1 | |
| SCHEMBL13541094 | 0.93 | L3MBTL1 (0.41) | EPHX1HPGDALDH1A1 | |
| SCHEMBL2438636 | 0.89 | ALOX5 (0.51) | PTGS1 | |
| SCHEMBL2438637 | 0.89 | ALOX5 (0.51) | PTGS1 | |
| SCHEMBL2434733 | 0.86 | DPP4 (0.40) | — | |
| SCHEMBL2440000 | 0.86 | DPP4 (0.40) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106380412-A | Method for synthesizing ritonavir intermediate | 中国科学院新疆生态与地理研究所 | 2017-02-08 | — | — | CN | disclosed |
| US-5583233-A | TREATING HUMAN IMMUNODEFICIENCY VIRUS INFECTIONS | ABBOTT LABORATORIES (US) | 1996-12-10 | — | — | US | disclosed |