Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OPRM1 | P35372 | 1/20 | 0.44 |
| ▸ | ACE2 | Q9BYF1 | 1/20 | 0.42 |
| ▸ | CA1 | P00915 | 2/20 | 0.37 |
| ▸ | SPHK1 | Q9NYA1 | 2/20 | 0.37 |
| ▸ | ZDHHC7 | Q9NXF8 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | DNM1 | Q05193 | 1/20 | 0.35 |
| ▸ | ADH1B | P00325 | 1/20 | 0.34 |
| ▸ | ADH1C | P00326 | 1/20 | 0.34 |
| ▸ | ADH1A | P07327 | 1/20 | 0.34 |
| ▸ | ADH4 | P08319 | 1/20 | 0.34 |
| ▸ | ADH7 | P40394 | 1/20 | 0.34 |
| ▸ | SMPD1 | P17405 | 2/20 | 0.33 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.33 |
| ▸ | PRKCG | P05129 | 1/20 | 0.33 |
| ▸ | PRKCB | P05771 | 1/20 | 0.33 |
| ▸ | PRKCA | P17252 | 1/20 | 0.33 |
| ▸ | PRKCH | P24723 | 1/20 | 0.33 |
| ▸ | PRKCI | P41743 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8107298 | 1.00 | OPRM1 (0.44) | OPRM1ACE2CA1SPHK1ZDHHC7 | |
| SCHEMBL3314131 | 0.98 | ACE2 (0.45) | OPRM1ACE2SPHK1ZDHHC7LMNA | |
| SCHEMBL17772681 | 0.98 | ACE2 (0.45) | OPRM1ACE2SPHK1ZDHHC7LMNA | |
| SCHEMBL3315460 | 0.98 | ACE2 (0.45) | OPRM1ACE2SPHK1ZDHHC7LMNA | |
| SCHEMBL28320909 | 0.93 | OPRM1 (0.39) | OPRM1ACE2CA1SPHK1ZDHHC7 | |
| SCHEMBL12112393 | 0.92 | — | — | |
| SCHEMBL13701664 | 0.92 | — | — | |
| SCHEMBL28234726 | 0.84 | LMNA (0.43) | LMNA | |
| SCHEMBL14525661 | 0.83 | ACE2 (0.45) | OPRM1ACE2CA1SPHK1ZDHHC7 | |
| SCHEMBL1269883 | 0.82 | LMNA (0.57) | LMNA |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3786165-A1 | SYNTHETIC INTERMEDIATES FOR PRODUCING MACROCYCLES AS FACTOR XIA INHIBITORS | Bristol-Myers Squibb Company (US) | 2021-03-03 | — | — | EP | disclosed |
| EP-2534154-B1 | MACROCYCLES AS FACTOR XIA INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2020-08-05 | — | — | EP | disclosed |
| EP-2698834-A1 | Fullerene derivatives with reduced electron affinity and a photovoltaic cell using the same | LANXESS Deutschland GmbH (DE) | 2014-02-19 | — | — | EP | disclosed |
| 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 |
| US-7198827-B1 | Nematic liquid crystal composition and liquid crystal display device using the same | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2007-04-03 | — | — | US | disclosed |
| WO-2007026024-A2 | BENZODIAZEPINES AS HCV INHIBITORS | TIBOTEC PHARMACEUTICALS LTD. (IE) | 2007-03-08 | — | — | 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 3316/4885ACE2 1552/4885CA1 704/4885 |
| US-20100105903-A1 | Method for the production of beta-ketonitriles | AKR1C3, AKR1C4, AKR1C1 | OPRM1 3316/4885ACE2 1552/4885CA1 704/4885 |
“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.