Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 2/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.66 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.66 |
| ▸ | GAA | P10253 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.51 |
| ▸ | NR1I3 | Q14994 | 1/20 | 0.51 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.50 |
| ▸ | POLB | P06746 | 1/20 | 0.50 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.50 |
| ▸ | HTR5A | P47898 | 1/20 | 0.49 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.49 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.48 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.48 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.48 |
| ▸ | CSNK2A3 | Q8NEV1 | 1/20 | 0.48 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.48 |
| ▸ | ITGB1 | P05556 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL18768843 | 0.92 | CYP1A2 (0.71) | CYP1A2CYP2D6CYP2C19CYP2C9GAA | |
| SCHEMBL6076785 | 0.83 | SIGMAR1 (0.63) | CYP1A2CYP2D6CYP2C19CYP2C9SIGMAR1 | |
| SCHEMBL10133040 | 0.81 | GAA (0.77) | GAAMAPTSIGMAR1HTR5ASMN1; SMN2 | |
| SCHEMBL10060315 | 0.79 | GAA (0.80) | GAAMAPTSIGMAR1HTR5ASMN1; SMN2 | |
| SCHEMBL2854484 | 0.79 | CYP1A2 (0.68) | CYP1A2CYP2D6CYP2C19CYP2C9MAPT | |
| SCHEMBL11089154 | 0.79 | CYP1A2 (0.66) | CYP1A2CYP2D6CYP2C19CYP2C9SIGMAR1 | |
| SCHEMBL3963109 | 0.78 | GAA (0.56) | CYP1A2CYP2D6CYP2C19CYP2C9GAA | |
| SCHEMBL8042005 | 0.78 | L3MBTL1 (0.60) | CYP1A2CYP2D6CYP2C19CYP2C9SIGMAR1 | |
| SCHEMBL5947179 | 0.77 | BCHE (0.56) | CYP1A2CYP2D6CYP2C19CYP2C9SIGMAR1 | |
| SCHEMBL24142592 | 0.76 | BCHE (0.66) | GAAMAPTITGB1ITGA4ITGB7 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2006083266-A1 | INHIBITORS OF BACTERIAL TYPE III PROTEIN SECRETION SYSTEMS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2006-08-10 | — | — | WO | disclosed |
| US-20050250819-A1 | Inhibitors of bacterial type III protein secretion systems | JANSSEN PHARMACEUTICA, N.V. (BE) | 2005-11-10 | — | — | 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-20050250819-A1 | Inhibitors of bacterial type III protein secretion systems | PSMB3, GBA3, PSMG3 | CYP1A2 3865/4885CYP2D6 3586/4885CYP2C19 4171/4885 |
“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.