Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.48 |
| ▸ | ACHE | P22303 | 1/20 | 0.48 |
| ▸ | CA12 | O43570 | 3/20 | 0.42 |
| ▸ | CA1 | P00915 | 3/20 | 0.42 |
| ▸ | CA2 | P00918 | 3/20 | 0.42 |
| ▸ | CA7 | P43166 | 3/20 | 0.42 |
| ▸ | CA9 | Q16790 | 3/20 | 0.42 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.42 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.42 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 3/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 1/20 | 0.41 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.41 |
| ▸ | MYC | P01106 | 1/20 | 0.41 |
| ▸ | PTPN1 | P18031 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL89590 | 0.83 | CYP3A4 (0.52) | CYP3A4ACHECA12CA1CA2 | |
| SCHEMBL25765869 | 0.81 | NOTUM (0.40) | MEN1KMT2ATDP1MYCPTPN1 | |
| SCHEMBL7822402 | 0.81 | KDM4E (0.59) | CA1CA2MEN1KMT2ALMNA | |
| SCHEMBL27910659 | 0.79 | TPMT (0.50) | CA12CA1CA2CA7CA9 | |
| SCHEMBL38891 | 0.78 | HMGB1 (0.62) | CYP3A4ACHECA12CA1CA2 | |
| SCHEMBL15058235 | 0.78 | AKR1C3 (0.47) | MEN1KMT2AMYCHMGB1CXCL12 | |
| SCHEMBL31035731 | 0.78 | AKR1C3 (0.47) | MEN1KMT2AMYCHMGB1CXCL12 | |
| SCHEMBL16277579 | 0.78 | KEAP1 (0.41) | HCAR1ALDH1A1HMGB1CXCL12HSD17B10 | |
| SCHEMBL9353947 | 0.77 | CYP3A4 (0.67) | CYP3A4ACHECA12CA1CA2 | |
| SCHEMBL11785416 | 0.77 | HMGB1 (0.60) | CYP3A4ACHECA12CA1CA2 |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2611771-B1 | SUBSTITUTED HETEROARYL- AND ARYLALKYNYL BENZENE DERIVATIVES AS ACC-INHIBITORS FOR THE TREATMENT OF METABOLIC DISEASES | BOEHRINGER INGELHEIM INT (DE) | 2016-11-23 | — | — | EP | disclosed |
| EP-2614054-B1 | ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INT (DE) | 2014-11-19 | — | — | EP | disclosed |
| US-8877754-B2 | Compounds, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-11-04 | — | — | US | disclosed |
| US-8835472-B2 | Compounds, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-09-16 | — | — | US | disclosed |
| EP-2614054-A1 | ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | Boehringer Ingelheim International GmbH (DE) | 2013-07-17 | — | — | EP | disclosed |
| EP-2611771-A1 | NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | Boehringer Ingelheim International GmbH (DE) | 2013-07-10 | — | — | EP | disclosed |
| US-20120214785-A1 | New compounds, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-08-23 | — | — | US | disclosed |
| US-20120214782-A1 | New compounds, pharmaceutical compositions and uses thereof | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-08-23 | — | — | US | disclosed |
| WO-2012032014-A1 | ETHYNE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-03-15 | — | — | WO | disclosed |
| WO-2012028676-A1 | NEW COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-03-08 | — | — | 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-20120214785-A1 | New compounds, pharmaceutical compositions and uses thereof | ABCG2, PGA5, PDE6G | CYP3A4 188/4885ACHE 1481/4885CA12 782/4885 |
| US-20120214782-A1 | New compounds, pharmaceutical compositions and uses thereof | ABCG2, PGA5, PDE6G | CYP3A4 188/4885ACHE 1481/4885CA12 782/4885 |
“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.