Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.41 |
| ▸ | ADH1B | P00325 | 1/20 | 0.41 |
| ▸ | ADH1C | P00326 | 1/20 | 0.41 |
| ▸ | ADH1A | P07327 | 1/20 | 0.41 |
| ▸ | ADH4 | P08319 | 1/20 | 0.41 |
| ▸ | ADH7 | P40394 | 1/20 | 0.41 |
| ▸ | FAAH | O00519 | 5/20 | 0.41 |
| ▸ | CNR1 | P21554 | 1/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.38 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3317097 | 1.00 | OPRM1 (0.41) | OPRM1ADH1BADH1CADH1AADH4 | |
| SCHEMBL3314268 | 1.00 | OPRM1 (0.41) | OPRM1ADH1BADH1CADH1AADH4 | |
| SCHEMBL10011705 | 0.98 | OPRM1 (0.42) | OPRM1ADH1BADH1CADH1AADH4 | |
| SCHEMBL3315102 | 0.91 | — | — | |
| SCHEMBL8069692 | 0.83 | FAAH (0.39) | OPRM1ADH1BADH1CADH1AADH4 | |
| SCHEMBL8069696 | 0.83 | FAAH (0.39) | OPRM1ADH1BADH1CADH1AADH4 | |
| SCHEMBL3315434 | 0.80 | — | — | |
| SCHEMBL14093584 | 0.80 | ADH1B (0.48) | OPRM1ADH1BADH1CADH1AADH4 | |
| SCHEMBL8810975 | 0.80 | ADH1B (0.48) | OPRM1ADH1BADH1CADH1AADH4 | |
| SCHEMBL2111102 | 0.80 | ADH1B (0.48) | OPRM1ADH1BADH1CADH1AADH4 |
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 | OPRM1 3316/4885ADH1B 723/4885ADH1C 134/4885 |
| US-20100105903-A1 | Method for the production of beta-ketonitriles | AKR1C3, AKR1C4, AKR1C1 | OPRM1 3316/4885ADH1B 723/4885ADH1C 134/4885 |
“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.