Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CXCR4 | P61073 | 3/20 | 0.52 |
| ▸ | LTA4H | P09960 | 1/20 | 0.42 |
| ▸ | HTR2C | P28335 | 1/20 | 0.42 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.41 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.41 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.41 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.41 |
| ▸ | HDAC10 | Q969S8 | 1/20 | 0.41 |
| ▸ | HDAC11 | Q96DB2 | 1/20 | 0.41 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.41 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.41 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.41 |
| ▸ | MAN1B1 | Q9UKM7 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL2934330 | 0.80 | CXCR4 (0.69) | CXCR4LTA4HHTR2CHDAC3HDAC4 | |
| SCHEMBL16083006 | 0.80 | CXCR4 (0.69) | CXCR4LTA4HHTR2CHDAC3HDAC4 | |
| SCHEMBL1785603 | 0.80 | CXCR4 (0.56) | CXCR4LTA4HHTR2CHDAC3HDAC4 | |
| SCHEMBL21254320 | 0.79 | CXCR4 (0.59) | CXCR4LTA4HHTR2CHDAC3HDAC4 | |
| SCHEMBL7067349 | 0.79 | SMN1; SMN2 (0.51) | ALDH1A1MAPTSMN1; SMN2 | |
| SCHEMBL803482 | 0.78 | OPRM1 (0.56) | RAB9A | |
| SCHEMBL19467524 | 0.77 | OPRM1 (0.41) | NPC1ALDH1A1MAPTHPGDHTT | |
| SCHEMBL23023087 | 0.77 | CXCR4 (0.65) | CXCR4HTR2CHDAC3HDAC4HDAC1 | |
| SCHEMBL10349210 | 0.77 | CXCR4 (0.65) | CXCR4HTR2CHDAC3HDAC4HDAC1 | |
| SCHEMBL25415116 | 0.76 | MAOA (0.44) | HTT |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080269170-A1 | Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors | SANOFI-AVENTIS (FR) | 2008-10-30 | — | — | 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 (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-20080269170-A1 | Novel 2,4-Dianilinopyrimidine Derivatives, the Preparation Thereof, Their Use as Medicaments, Pharmaceutical Compositions and, in Particular, as IKK Inhibitors | NFKBIA, IKBKB, IKBKE | CXCR4 2437/4885LTA4H 2367/4885HTR2C 3934/4885 |
“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.