Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL1911094 | 1.00 | ALDH1A1 (0.36) | ALDH1A1HSD17B10TSHR | |
| SCHEMBL15218457 | 0.84 | ALDH1A1 (0.43) | ALDH1A1HSD17B10TSHR | |
| SCHEMBL18348904 | 0.82 | LMNA (0.36) | ALDH1A1TSHR | |
| SCHEMBL3316630 | 0.79 | — | — | |
| SCHEMBL19457499 | 0.79 | — | — | |
| SCHEMBL17920060 | 0.79 | — | — | |
| SCHEMBL12150 | 0.78 | — | — | |
| SCHEMBL3315227 | 0.78 | — | — | |
| SCHEMBL13880395 | 0.77 | TSHR (0.42) | ALDH1A1HSD17B10TSHR | |
| SCHEMBL21598304 | 0.77 | ALDH1A1 (0.38) | ALDH1A1HSD17B10TSHR |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2132167-B1 | METHOD FOR THE PRODUCTION OF beta-KETONITRILES | BASF SE (DE) | 2013-12-25 | — | — | EP | disclosed |
| US-8501748-B2 | Method for the production of β-ketonitriles | BASF SE (DE) | 2013-08-06 | — | — | US | disclosed |
| US-20130005970-A1 | Method for the production of beta-ketonitriles | BASF SE (DE) | 2013-01-03 | — | — | US | disclosed |
| US-8309751-B2 | Method for the production of β-ketonitriles | BASF SE (DE) | 2012-11-13 | — | — | US | disclosed |
| US-20100105903-A1 | Method for the production of beta-ketonitriles | BASF SE (DE) | 2010-04-29 | — | — | US | disclosed |
| EP-2132167-A1 | METHOD FOR THE PRODUCTION OF -KETONITRILES | BASF SE (DE) | 2009-12-16 | — | — | EP | disclosed |
| WO-2008107397-A1 | METHOD FOR THE PRODUCTION OF β-KETONITRILES | BASF SE (DE) | 2008-09-12 | — | — | 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 (2 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-20130005970-A1 | Method for the production of beta-ketonitriles | AKR1C3, AKR1C4, AKR1C1 | ALDH1A1 1382/4885HSD17B10 231/4885TSHR 3134/4885 |
| US-20100105903-A1 | Method for the production of beta-ketonitriles | AKR1C3, AKR1C4, AKR1C1 | ALDH1A1 1382/4885HSD17B10 231/4885TSHR 3134/4885 |
“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.