Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRIN2B | Q13224 | 3/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.50 |
| ▸ | CES1 | P23141 | 1/20 | 0.50 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.47 |
| ▸ | PARP1 | P09874 | 1/20 | 0.47 |
| ▸ | CTNNB1 | P35222 | 3/20 | 0.47 |
| ▸ | WNT3A | P56704 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 4/20 | 0.47 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | LMNA | P02545 | 3/20 | 0.47 |
| ▸ | HPGD | P15428 | 3/20 | 0.47 |
| ▸ | HTT | P42858 | 3/20 | 0.47 |
| ▸ | MEN1 | O00255 | 2/20 | 0.47 |
| ▸ | NPC1 | O15118 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.47 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.47 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.46 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.45 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.45 |
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 | |
|---|---|---|---|---|
| SCHEMBL6401176 | 0.95 | GRIN2B (0.55) | GRIN2BCES2CES1PLA2G7PARP1 | |
| SCHEMBL6399974 | 0.92 | HTT (0.48) | GRIN2BCES2CES1KDM4ELMNA | |
| SCHEMBL6404561 | 0.89 | GRIN2B (0.45) | GRIN2BCES2CES1PLA2G7CTNNB1 | |
| SCHEMBL6399178 | 0.88 | ALDH1A1 (0.60) | GRIN2BCES2CES1MAPTKDM4E | |
| SCHEMBL6404902 | 0.80 | ERCC5 (0.44) | GRIN2BCES2CES1PARP1KDM4E | |
| SCHEMBL5722009 | 0.79 | CES2 (0.52) | GRIN2BCES2CES1PLA2G7PARP1 | |
| Bromide SCHEMBL6074363 | 0.78 | ALDH1A1 (0.49) | CES1MAPTKDM4ELMNAHPGD | |
| SCHEMBL16681100 | 0.76 | ALDH1A1 (0.67) | GRIN2BCES2CES1KDM4EHPGD | |
| SCHEMBL6401174 | 0.75 | GRIN2B (0.50) | GRIN2BCES2CES1PLA2G7PARP1 | |
| SCHEMBL29987428 | 0.75 | MEN1 (0.72) | CES2CES1PARP1CTNNB1WNT3A |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1554253-A4 | IMIDAZOLIUM CXCR3 INHIBITORS | SMITHKLINE BEECHAM CORP (US) | 2006-09-20 | — | — | EP | disclosed |
| US-20050272936-A1 | Imidazolium cxcr3 inhibitors | SMITHKLINE BEECHAM CORPORATION | 2005-12-08 | — | — | US | disclosed |
| EP-1554253-A1 | IMIDAZOLIUM CXCR3 INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2005-07-20 | — | — | EP | disclosed |
| WO-2003101970-A1 | IMIDAZOLIUM CXCR3 INHIBITORS | SMITHKLINE BEECHAM CORPORATION (US) | 2003-12-11 | — | — | 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-20050272936-A1 | Imidazolium cxcr3 inhibitors | CXCR3, CXCR1, CCR7 | GRIN2B 1128/4885CES2 1287/4885CES1 948/4885 |
“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.