Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 4/20 | 0.61 |
| ▸ | ABCC3 | O15438 | 1/20 | 0.61 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.61 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.61 |
| ▸ | PGR | P06401 | 1/20 | 0.61 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.61 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.61 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.61 |
| ▸ | TBXA2R | P21731 | 1/20 | 0.61 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.61 |
| ▸ | OPRM1 | P35372 | 1/20 | 0.61 |
| ▸ | HTR2B | P41595 | 1/20 | 0.61 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.61 |
| ▸ | SCN5A | Q14524 | 1/20 | 0.61 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.61 |
| ▸ | CTSD | P07339 | 2/20 | 0.33 |
| ▸ | GHSR | Q92847 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL673797 | 0.90 | CYP3A4 (0.75) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| SCHEMBL7987508 | 0.90 | CYP3A4 (0.75) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| SCHEMBL2059564 | 0.90 | CYP3A4 (0.62) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| SCHEMBL7977464 | 0.88 | CYP3A4 (0.62) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| SCHEMBL7994627 | 0.87 | CYP3A4 (0.60) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| SCHEMBL7988988 | 0.87 | CYP3A4 (0.61) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| SCHEMBL7988693 | 0.85 | CYP3A4 (0.58) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| SCHEMBL2058971 | 0.85 | CYP3A4 (0.80) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| SCHEMBL7994649 | 0.85 | CYP3A4 (0.56) | CYP3A4ABCC3ABCC4ABCB11PGR | |
| SCHEMBL7987596 | 0.85 | CYP3A4 (0.57) | CYP3A4ABCC3ABCC4ABCB11PGR |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7968707-B2 | Reacting an amino, hydroxy substituted amide with a heterocyclic substituted carboxylic acid to produce (2S,3S,5S)-2-(2,6-Dimethylphenoxyacetyl) amino-3-hydroxy-5-[2S-1-imidazolidin-2-onyl)-3-methyl-butanoyl] amino-1,6-diphenylhexane; inhibitors of HIV infection | ABBOTT LABORATORIES (US) | 2011-06-28 | — | — | US | disclosed |
| US-20080139811-A1 | RETROVIRAL PROTEASE INHIBITING COMPOUNDS | ABBVIE INC. | 2008-06-12 | — | — | US | disclosed |
| EP-1295874-A2 | Retroviral protease inhibiting compounds | Abbott Laboratories (US) | 2003-03-26 | — | — | EP | disclosed |
| US-6472529-B2 | VIRICIDES | ABBOTT LABORATORIES | 2002-10-29 | — | — | US | disclosed |
| EP-0882024-B1 | RETROVIRAL PROTEASE INHIBITING COMPOUNDS | ABBOTT LAB (US) | 2002-02-06 | — | — | EP | disclosed |
| US-20020004503-A1 | Retroviral protease inhibiting compounds | ABBVIE INC. | 2002-01-10 | — | — | US | disclosed |
| EP-1170289-A2 | Retroviral protease inhibiting compounds | Abbott Laboratories (US) | 2002-01-09 | — | — | EP | disclosed |
| US-6313296-B1 | 2-PYRROLIDINONE-1-ACETIC ACID DERIVATIVES; VIRICIDES FOR HUMAN IMMUNODEFICIENCY VIRUS (HIV); ACQUIRED IMMUNE DEFICIENCY SYNDROME (AIDS) TREATMENT | ABBOTT LABORATORIES | 2001-11-06 | — | — | 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 (2 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-20080139811-A1 | RETROVIRAL PROTEASE INHIBITING COMPOUNDS | SERPINB1, PREP, DNPEP | CYP3A4 1729/4885ABCC3 2435/4885ABCC4 2661/4885 |
| US-20020004503-A1 | Retroviral protease inhibiting compounds | SERPINB1, PREP, TMPRSS15 | CYP3A4 1600/4885ABCC3 2311/4885ABCC4 2547/4885 |
“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.