Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KIF11 | P52732 | 1/20 | 0.49 |
| ▸ | ALOX5 | P09917 | 3/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 1/20 | 0.44 |
| ▸ | NR1H4 | Q96RI1 | 1/20 | 0.43 |
| ▸ | BACE1 | P56817 | 1/20 | 0.43 |
| ▸ | DHODH | Q02127 | 1/20 | 0.43 |
| ▸ | LMNA | P02545 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | CRHBP | P24387 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL6373670 | 0.86 | ALDH1A1 (0.56) | KIF11ALOX5ALDH1A1SMN1; SMN2NPC1 | |
| SCHEMBL269217 | 0.79 | HCRTR1 (0.46) | ALDH1A1NPC1GAAKDM4EMEN1 | |
| SCHEMBL13398662 | 0.77 | KDM4E (0.46) | ALDH1A1SMN1; SMN2GAAKDM4EMAPT | |
| SCHEMBL6366696 | 0.76 | ACE (0.48) | ALDH1A1NPC1GAA | |
| SCHEMBL6366691 | 0.76 | ACE (0.48) | ALDH1A1NPC1GAA | |
| SCHEMBL6325802 | 0.74 | LMNA (0.46) | ALDH1A1NPC1GAANR1H4LMNA | |
| SCHEMBL6333062 | 0.74 | ALOX5 (0.43) | ALOX5ALDH1A1SMN1; SMN2KDM4EMEN1 | |
| SCHEMBL6330411 | 0.74 | PPARA (0.69) | MEN1MAPTKMT2A | |
| SCHEMBL6334826 | 0.74 | MAPT (0.49) | ALOX5ALDH1A1KDM4EMAPT | |
| SCHEMBL14148566 | 0.72 | ALDH1A1 (0.59) | ALDH1A1NPC1GAANR1H4LMNA |
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 |
|---|---|---|---|---|---|---|---|
| US-20050272784-A1 | Inhibitors of bacterial Type III protein secretion systems | LI XIAOBING | 2005-12-08 | — | — | US | disclosed |
| WO-2005113522-A1 | AZOLE CARBOXAMIDE INHIBITORS OF BACTERIAL TYPE III PROTEIN SECRETION SYSTEMS | JANSSEN PHARMACEUTICA, N.V. (BE) | 2005-12-01 | — | — | 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-20050272784-A1 | Inhibitors of bacterial Type III protein secretion systems | GBA3, PSMB3, SEC61B | KIF11 4238/4885ALOX5 4142/4885ALDH1A1 4837/4885 |
“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.