Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | BCHE | P06276 | 3/20 | 0.47 |
| ▸ | APP | P05067 | 1/20 | 0.45 |
| ▸ | PSEN1 | P49768 | 1/20 | 0.45 |
| ▸ | PSEN2 | P49810 | 1/20 | 0.45 |
| ▸ | APH1B | Q8WW43 | 1/20 | 0.45 |
| ▸ | NCSTN | Q92542 | 1/20 | 0.45 |
| ▸ | APH1A | Q96BI3 | 1/20 | 0.45 |
| ▸ | PSENEN | Q9NZ42 | 1/20 | 0.45 |
| ▸ | BACE1 | P56817 | 6/20 | 0.44 |
| ▸ | MLNR | O43193 | 1/20 | 0.43 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.43 |
| ▸ | SLCO2B1 | O94956 | 1/20 | 0.43 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.43 |
| ▸ | ABCB1 | P08183 | 1/20 | 0.43 |
| ▸ | UGT1A1 | P22309 | 1/20 | 0.43 |
| ▸ | CCKAR | P32238 | 1/20 | 0.43 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.43 |
| ▸ | GHSR | Q92847 | 1/20 | 0.43 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL3797469 | 1.00 | CYP3A4 (0.48) | CYP3A4BCHEAPPPSEN1PSEN2 | |
| SCHEMBL3805638 | 0.88 | UGT1A1 (0.61) | CYP3A4BCHEBACE1MLNRNR1I2 | |
| SCHEMBL3805630 | 0.88 | UGT1A1 (0.61) | CYP3A4BCHEBACE1MLNRNR1I2 | |
| SCHEMBL3804358 | 0.87 | CYP3A4 (0.55) | CYP3A4APPPSEN1PSEN2APH1B | |
| SCHEMBL3804366 | 0.87 | CYP3A4 (0.55) | CYP3A4APPPSEN1PSEN2APH1B | |
| SCHEMBL3798365 | 0.86 | UGT1A1 (0.49) | CYP3A4BCHEAPPPSEN1PSEN2 | |
| SCHEMBL3798369 | 0.86 | UGT1A1 (0.49) | CYP3A4BCHEAPPPSEN1PSEN2 | |
| SCHEMBL3804839 | 0.85 | EPHX1 (0.47) | APPPSEN1PSEN2APH1BNCSTN | |
| SCHEMBL3804837 | 0.85 | EPHX1 (0.47) | APPPSEN1PSEN2APH1BNCSTN | |
| SCHEMBL14660915 | 0.84 | BCHE (0.49) | CYP3A4BCHEBACE1MLNRNR1I2 |
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-20140243340-A1 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | ABBVIE INC. (US) | 2014-08-28 | — | — | US | disclosed |
| US-20140194349-A1 | HIV Protease Inhibiting Compounds | ABBVIE INC. (US) | 2014-07-10 | — | — | US | disclosed |
| US-20130131085-A1 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | ABBOTT LABORATORIES (US) | 2013-05-23 | — | — | US | disclosed |
| US-20120309762-A1 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | ABBOTT LABORATORIES (US) | 2012-12-06 | — | — | US | disclosed |
| EP-2465856-A2 | Cytochrome P450 oxidase inhibitors and uses thereof | Abbott Laboratories (US) | 2012-06-20 | — | — | EP | disclosed |
| EP-2465855-A1 | Cytochrome P450 oxidase inhibitors and uses thereof | Abbott Laboratories (US) | 2012-06-20 | — | — | EP | disclosed |
| EP-2266971-A2 | Hiv protease inhibiting compounds | Abbott Laboratories (US) | 2010-12-29 | — | — | EP | disclosed |
| US-20080161246-A1 | Improving the pharmacokinetics of drugs such as antiviral agents that are metabolized by CYP enzymes; N-heterocyclic compounds containing carbamate group, where is excluded; 1,3-thiazol-5-ylmethyl 1,1-dibenzylbut-3-enylcarbamate for example | ABBOTT LABORATORIES (US) | 2008-07-03 | — | — | 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 (5 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-20080161246-A1 | Improving the pharmacokinetics of drugs such as antiviral agents that are metabolized by CYP enzymes; N-heterocyclic compounds containing carbamate group, where is excluded; 1,3-thiazol-5-ylmethyl 1,1-dibenzylbut-3-enylcarbamate for example | CYP3A4, CYP3A5, CYP2B6 | CYP3A4 1/4885BCHE 252/4885APP 3330/4885 |
| US-20120309762-A1 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | CYP3A43, CYP3A5, POR | CYP3A4 8/4885BCHE 636/4885APP 2287/4885 |
| US-20130131085-A1 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | CYP3A43, CYP3A5, POR | CYP3A4 8/4885BCHE 636/4885APP 2287/4885 |
| US-20140194349-A1 | HIV Protease Inhibiting Compounds | SERPINB1, HPN, DNPEP | CYP3A4 764/4885BCHE 201/4885APP 688/4885 |
| US-20140243340-A1 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | CYP3A43, CYP3A5, POR | CYP3A4 8/4885BCHE 636/4885APP 2287/4885 |
“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.