Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.55 |
| ▸ | HDAC3 | O15379 | 3/20 | 0.40 |
| ▸ | HDAC4 | P56524 | 3/20 | 0.40 |
| ▸ | HDAC1 | Q13547 | 3/20 | 0.40 |
| ▸ | HDAC7 | Q8WUI4 | 3/20 | 0.40 |
| ▸ | HDAC2 | Q92769 | 3/20 | 0.40 |
| ▸ | HDAC10 | Q969S8 | 3/20 | 0.40 |
| ▸ | HDAC11 | Q96DB2 | 3/20 | 0.40 |
| ▸ | HDAC8 | Q9BY41 | 3/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 3/20 | 0.40 |
| ▸ | HDAC9 | Q9UKV0 | 3/20 | 0.40 |
| ▸ | HDAC5 | Q9UQL6 | 3/20 | 0.40 |
| ▸ | PLA2G4A | P47712 | 2/20 | 0.37 |
| ▸ | ACHE | P22303 | 3/20 | 0.36 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.36 |
| ▸ | CYP11B1 | P15538 | 2/20 | 0.35 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.35 |
| ▸ | TFPI2 | P48307 | 2/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL15969044 | 0.81 | CYP2A6 (0.57) | CYP2A6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL6331411 | 0.79 | CYP2A6 (0.55) | CYP2A6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL14456703 | 0.77 | CYP2A6 (0.53) | CYP2A6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL1056190 | 0.75 | CYP2A6 (0.51) | CYP2A6HDAC3HDAC4HDAC1HDAC7 | |
| SCHEMBL3834965 | 0.74 | NOTUM (0.65) | NOTUMTFPI2ALDH1A1KMT2ARAB9A | |
| SCHEMBL29428949 | 0.74 | NOTUM (0.65) | NOTUMTFPI2ALDH1A1KMT2ARAB9A | |
| SCHEMBL15970954 | 0.72 | CYP2A6 (0.64) | CYP2A6PLA2G4AALDH1A1KDM4EPTGS2 | |
| SCHEMBL1125942 | 0.72 | CYP2A6 (1.00) | CYP2A6TUBB1 | |
| SCHEMBL29569100 | 0.72 | CYP2A6 (1.00) | CYP2A6TUBB1 | |
| SCHEMBL28743619 | 0.72 | PLA2G4A (0.48) | CYP2A6HDAC3HDAC4HDAC1HDAC7 |
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 |
|---|---|---|---|---|---|---|---|
| EP-2094692-B1 | MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF | BRISTOL MYERS SQUIBB CO (US) | 2012-11-28 | — | — | EP | disclosed |
| US-8067447-B2 | Modulators of glucocorticoid receptor, AP-1, and/or NF-κB activity and use thereof | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-11-29 | — | — | US | disclosed |
| US-20100076014-A1 | MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF | BRISTOL-MYERS SQUIBB COMPANY | 2010-03-25 | — | — | US | disclosed |
| EP-2094692-A2 | MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF | Brystol-Myers Squibb Company (US) | 2009-09-02 | — | — | EP | disclosed |
| WO-2008057856-A2 | MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1 AND/OR NF-KAPPAB ACTIVITY AND USE THEREOF | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-05-15 | — | — | WO | 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-20100076014-A1 | MODULATORS OF GLUCOCORTICOID RECEPTOR, AP-1, AND/OR NF-kB ACTIVITY AND USE THEREOF | NFRKB, NFKBIA, NFKB1 | CYP2A6 1705/4885HDAC3 289/4885HDAC4 569/4885 |
“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.