Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.46 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | ESR1 | P03372 | 6/20 | 0.42 |
| ▸ | ESR2 | Q92731 | 4/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | NR1H3 | Q13133 | 3/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.39 |
| ▸ | CA12 | O43570 | 1/20 | 0.39 |
| ▸ | CA1 | P00915 | 1/20 | 0.39 |
| ▸ | CA9 | Q16790 | 1/20 | 0.39 |
| ▸ | PTPRC | P08575 | 1/20 | 0.39 |
| ▸ | LIG1 | P18858 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6005484 | 0.82 | SCN2A (0.53) | ALDH1A1ESR1RAB9ANR1H3NR1H2 | |
| SCHEMBL6005753 | 0.81 | ALDH1A1 (0.46) | ALDH1A1NPC1RAB9ASMN1; SMN2GAA | |
| SCHEMBL7451753 | 0.76 | NPC1 (0.49) | ALDH1A1NPSR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL9781271 | 0.73 | PPOX (0.58) | ALDH1A1NPSR1GAATSHR | |
| SCHEMBL5642647 | 0.73 | ALDH1A1 (0.36) | ALDH1A1NPSR1NPC1RAB9ASMN1; SMN2 | |
| SCHEMBL6005895 | 0.72 | ESR1 (0.62) | ESR1ESR2NR1H3NR1H2 | |
| SCHEMBL11437152 | 0.71 | SMN1; SMN2 (0.45) | ALDH1A1NPC1RAB9ASMN1; SMN2TSHR | |
| SCHEMBL6111944 | 0.69 | ALOX5 (0.49) | ESR2GAATSHRCA12CA1 | |
| SCHEMBL21888871 | 0.69 | CA12 (0.35) | ALDH1A1ESR1ESR2SMN1; SMN2GAA | |
| SCHEMBL6707110 | 0.68 | MAOB (0.50) | ALDH1A1GAATSHRLIG1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1682555-A1 | MACROCYCLIC KINASE INHIBITORS | ABBOTT LABORATORIES (US) | 2006-07-26 | — | — | EP | disclosed |
| US-20050215556-A1 | Macrocyclic kinase inhibitors | ABBVIE INC. | 2005-09-29 | — | — | US | disclosed |
| WO-2005047294-A1 | MACROCYCLIC KINASE INHIBITORS | ABBOTT LABORATORIES (US) | 2005-05-26 | — | — | 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-20050215556-A1 | Macrocyclic kinase inhibitors | MAP3K20, MAP3K19, MAP3K7 | ALDH1A1 4408/4885NPSR1 4564/4885ESR1 3362/4885 |
“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.