Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.54 |
| ▸ | CTSD | P07339 | 2/20 | 0.54 |
| ▸ | UGT1A1 | P22309 | 2/20 | 0.51 |
| ▸ | MLNR | O43193 | 1/20 | 0.51 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.51 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.51 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.51 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.51 |
| ▸ | CCKAR | P32238 | 1/20 | 0.51 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.51 |
| ▸ | GHSR | Q92847 | 1/20 | 0.51 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.51 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.51 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.51 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | KLK5 | Q9Y337 | 2/20 | 0.46 |
| ▸ | CA2 | P00918 | 1/20 | 0.45 |
| ▸ | CTSS | P25774 | 1/20 | 0.44 |
| ▸ | CTSK | P43235 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 3/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3801282 | 1.00 | CYP3A4 (0.54) | CYP3A4CTSDUGT1A1MLNRNR1I2 | |
| SCHEMBL3801029 | 1.00 | CYP3A4 (0.54) | CYP3A4CTSDUGT1A1MLNRNR1I2 | |
| SCHEMBL3801033 | 1.00 | CYP3A4 (0.54) | CYP3A4CTSDUGT1A1MLNRNR1I2 | |
| SCHEMBL3748370 | 0.96 | CYP3A4 (0.54) | CYP3A4CTSDUGT1A1MLNRNR1I2 | |
| SCHEMBL3746143 | 0.96 | CYP3A4 (0.54) | CYP3A4CTSDUGT1A1MLNRNR1I2 | |
| SCHEMBL3746153 | 0.96 | CYP3A4 (0.54) | CYP3A4CTSDUGT1A1MLNRNR1I2 | |
| SCHEMBL3802932 | 0.96 | CYP3A4 (0.54) | CYP3A4CTSDUGT1A1MLNRNR1I2 | |
| SCHEMBL3797436 | 0.90 | CYP3A4 (0.65) | CYP3A4CTSDUGT1A1MLNRNR1I2 | |
| SCHEMBL2438132 | 0.88 | UGT1A1 (0.49) | CYP3A4CTSDUGT1A1MLNRNR1I2 | |
| SCHEMBL6010398 | 0.87 | ATM (0.60) | ATMKLK5CTSSCTSKAPP |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140194349-A1 | HIV Protease Inhibiting Compounds | ABBVIE INC. (US) | 2014-07-10 | — | — | US | disclosed |
| EP-2266971-A2 | Hiv protease inhibiting compounds | Abbott Laboratories (US) | 2010-12-29 | — | — | EP | 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 (1 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-20140194349-A1 | HIV Protease Inhibiting Compounds | SERPINB1, HPN, DNPEP | CYP3A4 764/4885CTSD 84/4885UGT1A1 2307/4885 |
“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.