Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SLC6A4 | P31645 | 11/20 | 0.42 |
| ▸ | SLC6A2 | P23975 | 10/20 | 0.40 |
| ▸ | HTR1A | P08908 | 4/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 5/20 | 0.39 |
| ▸ | KDM1A | O60341 | 1/20 | 0.38 |
| ▸ | SSTR4 | P31391 | 2/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 3/20 | 0.36 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.35 |
| ▸ | CHRM4 | P08173 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CHRM5 | P08912 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.35 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | CXCR4 | P61073 | 1/20 | 0.35 |
| ▸ | GPR4 | P46093 | 1/20 | 0.34 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL14500631 | 0.77 | SLC6A4 (0.51) | SLC6A4SLC6A2SLC6A3KDM1AHTR2C | |
| SCHEMBL3300289 | 0.72 | SLC6A2 (0.41) | SLC6A4SLC6A2SLC6A3KDM1AHTR2C | |
| SCHEMBL2083529 | 0.71 | SLC6A2 (0.50) | SLC6A4SLC6A2HTR1ASLC6A3CHRM2 | |
| SCHEMBL1596640 | 0.71 | SLC6A2 (0.40) | SLC6A4SLC6A2HTR1ASLC6A3KDM1A | |
| SCHEMBL1596383 | 0.70 | SLC6A4 (0.42) | SLC6A4SLC6A2HTR1ASLC6A3HTR2C | |
| SCHEMBL3159087 | 0.70 | SLC6A4 (0.42) | SLC6A4SLC6A2HTR1ASLC6A3HTR2C | |
| SCHEMBL2080658 | 0.69 | CXCR4 (0.43) | SLC6A4SLC6A2HTR1ASLC6A3SSTR4 | |
| SCHEMBL2080657 | 0.69 | SLC6A4 (0.40) | SLC6A4SLC6A2HTR1ASLC6A3SSTR4 | |
| SCHEMBL7304914 | 0.69 | GBA1 (0.50) | SLC6A4SLC6A2HTR1ASLC6A3CYP2D6 | |
| Ammonia Solution, Strong SCHEMBL27382599 | 0.68 | GBA1 (0.49) | SLC6A4SLC6A2HTR1ASLC6A3CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-20100093668-A1 | N,N'-2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS | SANOFI-AVENTIS (FR) | 2010-04-15 | — | — | US | disclosed |
| CN-101605783-A | Novel N, N' -2, 4-dianilinopyrimidine derivatives as drugs, pharmaceutical compositions, especially as IKK inhibitors, and preparation thereof | SANOFI AVENTIS (FR) | 2009-12-16 | — | — | CN | disclosed |
| EP-2118092-A1 | NEW N, N'- 2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS | Sanofi-Aventis (FR) | 2009-11-18 | — | — | EP | disclosed |
| WO-2009056693-A1 | NOVEL DERIVATIVES OF N, N'- 2, 4-DIANILINOPYRIMIDINES, PREPARATION THEREOF AS MEDICAMENTS PHARMACEUTICAL COMPOSITIONS AND IN PARTICULAR AS IKK INHIBITORS | SANOFI-AVENTIS (FR) | 2009-05-07 | — | — | WO | disclosed |
| WO-2008099073-A1 | N, N' -2, 4-DIANILINOPYRIMIDINES PREPARATION AND USE THEREOF AS IKK INHIBITORS PREPARATION AND TEH PHARMACUETICAL COMPOSITIONS THEREOF | SANOFI-AVENTIS (FR) | 2008-08-21 | — | — | 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-20100093668-A1 | N,N'-2,4-DIANILINOPYRIMIDINE DERIVATIVES, PREPARATION THEREOF AS DRUGS, PHARMACEUTICAL COMPOSITIONS ESSENTIALLY AS IKK INHIBITORS | CHUK, IKBKB, IKBKE | SLC6A4 4775/4885SLC6A2 4780/4885HTR1A 4110/4885 |
“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.