Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.50 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.50 |
| ▸ | LTA4H | P09960 | 1/20 | 0.50 |
| ▸ | LAP3 | P28838 | 1/20 | 0.50 |
| ▸ | MMP8 | P22894 | 1/20 | 0.49 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.49 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.49 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.49 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.49 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.49 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.49 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | CTSL | P07711 | 1/20 | 0.48 |
| ▸ | CTSB | P07858 | 1/20 | 0.48 |
| ▸ | CTRB1 | P17538 | 2/20 | 0.48 |
| ▸ | POLB | P06746 | 1/20 | 0.47 |
| ▸ | SLC15A1 | P46059 | 1/20 | 0.47 |
| ▸ | SRR | Q9GZT4 | 1/20 | 0.46 |
| ▸ | ALPI | P09923 | 1/20 | 0.46 |
| ▸ | PKM | P14618 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL1555297 | 0.89 | ALDH1A1 (0.57) | ALDH1A1LTA4HLAP3MMP8MDM2 | |
| SCHEMBL7298214 | 0.87 | ALDH1A1 (0.55) | ALDH1A1LTA4HLAP3MMP8MDM2 | |
| SCHEMBL16016723 | 0.86 | PPARG (0.50) | ALDH1A1LTA4HLAP3MMP8MDM2 | |
| SCHEMBL6893163 | 0.85 | MMP8 (0.68) | ALDH1A1EPHX1MMP8MDM2L3MBTL1 | |
| SCHEMBL3746015 | 0.85 | ALDH1A1 (0.49) | ALDH1A1LTA4HLAP3MAPK1L3MBTL1 | |
| SCHEMBL11739098 | 0.83 | ALDH1A1 (0.47) | ALDH1A1LTA4HLAP3MAPK1L3MBTL1 | |
| SCHEMBL2109313 | 0.83 | EPHX1 (0.68) | ALDH1A1EPHX1LAP3MMP8MDM2 | |
| SCHEMBL7390528 | 0.83 | ALDH1A1 (0.59) | ALDH1A1LTA4HLAP3MMP8MDM2 | |
| SCHEMBL22507577 | 0.83 | ALDH1A1 (0.59) | ALDH1A1LTA4HLAP3MMP8MDM2 | |
| SCHEMBL11135574 | 0.83 | CTSB (0.51) | ALDH1A1LTA4HLAP3MMP8MDM2 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0812857-A1 | Irreversible HIV protease inhibitors, compositions containing same and process for the preparation thereof | LG Chemical Limited (KR) | 1997-12-17 | — | — | EP | disclosed |
| US-5679687-A | Irreversible HIV protease inhibitors, compositions containing same and process for the preparation thereof | LG CHEMICAL LIMITED (KR) | 1997-10-21 | — | — | US | disclosed |
| US-4399277-A | 7-Amino-3-phosphonocephalosporanic acid compounds | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1983-08-16 | — | — | US | disclosed |
| US-4291031-A | 3-Phosphonocephalosporanic acid derivatives, and pharmaceutical composition comprising the same | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 1981-09-22 | — | — | US | disclosed |