Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 11/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.47 |
| ▸ | CCR6 | P51684 | 1/20 | 0.43 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL893063 | 0.94 | CYP3A4 (0.59) | CYP3A4CYP2D6CYP2C9CYP2C19TDP1 | |
| SCHEMBL4248044 | 0.92 | CYP3A4 (0.57) | CYP3A4CYP2D6CYP2C9CYP2C19TDP1 | |
| SCHEMBL893112 | 0.92 | CYP3A4 (0.57) | CYP3A4CYP2D6CYP2C9CYP2C19TDP1 | |
| SCHEMBL893098 | 0.89 | CYP3A4 (0.59) | CYP3A4CYP2D6CYP2C9CYP2C19TDP1 | |
| SCHEMBL4551105 | 0.88 | CYP3A4 (0.54) | CYP3A4CYP2D6CYP2C9CYP2C19TDP1 | |
| SCHEMBL894069 | 0.88 | CYP3A4 (0.53) | CYP3A4CYP2D6CYP2C9CYP2C19TDP1 | |
| SCHEMBL893442 | 0.86 | CYP3A4 (0.50) | CYP3A4CYP2D6CYP2C9CYP2C19TDP1 | |
| SCHEMBL893518 | 0.86 | CYP3A4 (0.53) | CYP3A4CYP2D6CYP2C9CYP2C19TDP1 | |
| SCHEMBL893678 | 0.86 | CYP3A4 (0.55) | CYP3A4CYP2D6CYP2C9CYP2C19TDP1 | |
| SCHEMBL11919241 | 0.86 | CCR6 (0.60) | CYP3A4CYP2D6CYP2C9CYP2C19TDP1 |
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 |
|---|---|---|---|---|---|---|---|
| US-20140243340-A1 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | ABBVIE INC. (US) | 2014-08-28 | — | — | US | disclosed |
| US-8759379-B2 | Inhibitors of cytochrome P450 | GILEAD SCIENCES, INC. (US) | 2014-06-24 | — | — | US | disclosed |
| US-20130131085-A1 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | ABBOTT LABORATORIES (US) | 2013-05-23 | — | — | US | disclosed |
| US-20120083490-A1 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | ABBOTT LABORATORIES (US) | 2012-04-05 | — | — | US | disclosed |
| US-20090175820-A1 | INHIBITORS OF CYTOCHROME P450 | GILEAD SCIENCES, INC. (US) | 2009-07-09 | — | — | US | 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-20090175820-A1 | INHIBITORS OF CYTOCHROME P450 | CYP11B1, CYP11B2, CYP2F1 | CYP3A4 23/4885CYP2D6 15/4885CYP2C9 30/4885 |
| US-20120083490-A1 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | CYP3A43, CYP3A5, POR | CYP3A4 8/4885CYP2D6 5/4885CYP2C9 11/4885 |
| 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 1/4885CYP2D6 7/4885CYP2C9 5/4885 |
| US-20130131085-A1 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | CYP3A43, CYP3A5, POR | CYP3A4 8/4885CYP2D6 5/4885CYP2C9 11/4885 |
| US-20140243340-A1 | CYTOCHROME P450 OXIDASE INHIBITORS AND USES THEREOF | CYP3A43, CYP3A5, POR | CYP3A4 8/4885CYP2D6 5/4885CYP2C9 11/4885 |
“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.