Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 2/20 | 0.56 |
| ▸ | RPS6KA5 | O75582 | 2/20 | 0.56 |
| ▸ | PRKACA | P17612 | 2/20 | 0.56 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.56 |
| ▸ | GSK3A | P49840 | 2/20 | 0.56 |
| ▸ | GSK3B | P49841 | 2/20 | 0.56 |
| ▸ | PRKX | P51817 | 2/20 | 0.56 |
| ▸ | ROCK1 | Q13464 | 2/20 | 0.56 |
| ▸ | PRKG1 | Q13976 | 2/20 | 0.56 |
| ▸ | PKN2 | Q16513 | 2/20 | 0.56 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.56 |
| ▸ | SGK2 | Q9HBY8 | 2/20 | 0.56 |
| ▸ | RPS6KA4 | O75676 | 1/20 | 0.56 |
| ▸ | IRAK1 | P51617 | 1/20 | 0.56 |
| ▸ | RAB9A | P51151 | 1/20 | 0.52 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | GAA | P10253 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.49 |
| ▸ | CTRB1 | P17538 | 5/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL6931878 | 0.89 | CTRB1 (0.59) | RAB9ACTRB1 | |
| SCHEMBL6444614 | 0.85 | ECE1 (0.67) | RAB9AGAAKDM4ECYP3A4CYP2C19 | |
| SCHEMBL7277346 | 0.84 | CA2 (0.56) | ROCK2RPS6KA5PRKACAMAPK1GSK3A | |
| SCHEMBL23304046 | 0.81 | PTPN1 (0.66) | ROCK2RPS6KA5PRKACAMAPK1GSK3A | |
| SCHEMBL23304049 | 0.81 | PTPN1 (0.66) | ROCK2RPS6KA5PRKACAMAPK1GSK3A | |
| SCHEMBL7277767 | 0.78 | PSMB5 (0.55) | TDP1MAPTKDM4EHTTEPHX2 | |
| SCHEMBL30341613 | 0.78 | ROCK2 (0.66) | ROCK2RPS6KA5PRKACAMAPK1GSK3A | |
| SCHEMBL12320657 | 0.78 | HPGDS (0.64) | ROCK2RPS6KA5PRKACAMAPK1GSK3A | |
| SCHEMBL6931268 | 0.77 | HPGDS (0.58) | CTRB1KDM4E | |
| SCHEMBL6929399 | 0.77 | HPGDS (0.48) | RAB9ACTRB1CA1 |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0839798-B1 | Intermediates for preparating non-peptide retroviral protease inhibitors | ABBOTT LAB (US) | 2005-08-17 | — | — | EP | disclosed |
| 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 |
| US-5142056-A | Human immunodeficiency virus protease inhibitor | ABBOTT LABORATORIES (US) | 1992-08-25 | — | — | US | disclosed |
| EP-0402646-A1 | Retroviral protease inhibiting compounds | ABBOTT LABORATORIES (US) | 1990-12-19 | — | — | EP | disclosed |