Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NR4A1 | P22736 | 1/20 | 0.45 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.45 |
| ▸ | NR4A3 | Q92570 | 1/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.44 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.44 |
| ▸ | MMP3 | P08254 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | CDC25B | P30305 | 1/20 | 0.41 |
| ▸ | PLK1 | P53350 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 4/20 | 0.40 |
| ▸ | CYP2C9 | P11712 | 3/20 | 0.40 |
| ▸ | HTT | P42858 | 2/20 | 0.40 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | GMNN | O75496 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL11497859 | 0.85 | CYP2C19 (0.58) | NR4A1NR4A2NR4A3ALDH1A1CYP2C19 | |
| SCHEMBL15184721 | 0.74 | ALDH1A1 (0.46) | ALDH1A1CYP2C19HPGDCYP2C9HTT | |
| SCHEMBL10683688 | 0.74 | CYP2C19 (0.50) | ALDH1A1CYP2C19PTPN1HPGDCYP2C9 | |
| SCHEMBL23456217 | 0.74 | ALDH1A1 (0.46) | ALDH1A1CYP2C19HPGDCYP2C9HTT | |
| SCHEMBL3239489 | 0.74 | ALDH1A1 (0.46) | ALDH1A1CYP2C19HPGDCYP2C9HTT | |
| SCHEMBL8652049 | 0.74 | CYP2C9 (0.48) | ALDH1A1CYP2C19HPGDCYP2C9HTT | |
| SCHEMBL5137793 | 0.73 | PTPN1 (0.62) | NR4A1NR4A2NR4A3ALDH1A1PTPN1 | |
| SCHEMBL6837113 | 0.73 | NR4A1 (0.55) | NR4A1NR4A2NR4A3ALDH1A1CYP2C19 | |
| SCHEMBL30349521 | 0.73 | NR4A1 (0.55) | NR4A1NR4A2NR4A3ALDH1A1CYP2C19 | |
| SCHEMBL2326062 | 0.71 | AOC3 (0.39) | ALDH1A1CYP2C19HPGDCYP2C9HTT |
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-0839798-A2 | Intermediates for preparating non-peptide retroviral protease inhibitors | ABBOTT LABORATORIES (US) | 1998-05-06 | — | — | EP | disclosed |
| US-5670675-A | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1997-09-23 | — | — | US | disclosed |
| US-5545750-A | TREATING HUMAN IMMUNODEFICIENCY VIRUS | ABBOTT LABORATORIES (US) | 1996-08-13 | — | — | US | disclosed |
| EP-0402646-A1 | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1990-12-19 | — | — | EP | disclosed |