Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Saquinavir. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 1.00 |
| ▸ | ABCC4 | O15439 | 2/20 | 1.00 |
| ▸ | ABCB11 | O95342 | 2/20 | 1.00 |
| ▸ | ABCB1 | P08183 | 2/20 | 1.00 |
| ▸ | TACR2 | P21452 | 2/20 | 1.00 |
| ▸ | TBXAS1 | P24557 | 2/20 | 1.00 |
| ▸ | OPRM1 | P35372 | 2/20 | 1.00 |
| ▸ | OPRD1 | P41143 | 2/20 | 1.00 |
| ▸ | OPRK1 | P41145 | 2/20 | 1.00 |
| ▸ | SLC6A3 | Q01959 | 2/20 | 1.00 |
| ▸ | KCNH2 | Q12809 | 2/20 | 1.00 |
| ▸ | ABCG2 | Q9UNQ0 | 2/20 | 1.00 |
| ▸ | ABCC3 | O15438 | 1/20 | 1.00 |
| ▸ | CACNA1F | O60840 | 1/20 | 1.00 |
| ▸ | HTR1A | P08908 | 1/20 | 1.00 |
| ▸ | DRD2 | P14416 | 1/20 | 1.00 |
| ▸ | DRD3 | P35462 | 1/20 | 1.00 |
| ▸ | AVPR1A | P37288 | 1/20 | 1.00 |
| ▸ | HTR2B | P41595 | 1/20 | 1.00 |
| ▸ | CACNA1D | Q01668 | 1/20 | 1.00 |
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 | |
|---|---|---|---|---|
| Saquinavir SCHEMBL29534530 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCC4ABCB11ABCB1TACR2 | |
| Saquinavir SCHEMBL13953012 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCC4ABCB11ABCB1TACR2 | |
| Saquinavir SCHEMBL6881 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCC4ABCB11ABCB1TACR2 | |
| Saquinavir SCHEMBL20451344 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCC4ABCB11ABCB1TACR2 | |
| Saquinavir SCHEMBL1976548 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCC4ABCB11ABCB1TACR2 | |
| Saquinavir SCHEMBL8584252 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCC4ABCB11ABCB1TACR2 | |
| Saquinavir SCHEMBL1176566 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCC4ABCB11ABCB1TACR2 | |
| Saquinavir SCHEMBL8584255 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCC4ABCB11ABCB1TACR2 | |
| Saquinavir SCHEMBL21683360 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCC4ABCB11ABCB1TACR2 | |
| Saquinavir SCHEMBL29357501 | 1.00 | CYP3A4 (1.00) | CYP3A4ABCC4ABCB11ABCB1TACR2 |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8394813-B2 | Active agent delivery systems and methods for protecting and administering active agents | SHIRE LLC (US) | 2013-03-12 | — | — | US | disclosed |
| US-20090306228-A1 | ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS | SHIRE LLC (US) | 2009-12-10 | — | — | US | disclosed |
| US-20090253792-A1 | ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS | SHIRE LLC (US) | 2009-10-08 | — | — | US | disclosed |
| US-7427600-B2 | Active agent delivery systems and methods for protecting and administering active agents | SHIRE LLC (US) | 2008-09-23 | — | — | US | disclosed |
| US-20070232529-A1 | mesalamine covalently attached to carrier peptide at C-terminus, interspersed and/or side chain; releasing into bloodstream; reducing dosage | NEW RIVER PHARMACEUTICALS INC. (US) | 2007-10-04 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20090253792-A1 | ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS | HDGF, CTSA, IAPP | CYP3A4 4785/4885ABCC4 1144/4885ABCB11 187/4885 |
| US-20090306228-A1 | ACTIVE AGENT DELIVERY SYSTEMS AND METHODS FOR PROTECTING AND ADMINISTERING ACTIVE AGENTS | HDGF, CTSA, IAPP | CYP3A4 4785/4885ABCC4 1144/4885ABCB11 187/4885 |
| US-20070232529-A1 | mesalamine covalently attached to carrier peptide at C-terminus, interspersed and/or side chain; releasing into bloodstream; reducing dosage | VIP, BST2, FCGR3B | CYP3A4 2045/4885ABCC4 1958/4885ABCB11 307/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.