Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 7/20 | 0.66 |
| ▸ | CA2 | P00918 | 7/20 | 0.66 |
| ▸ | CA9 | Q16790 | 6/20 | 0.66 |
| ▸ | CA12 | O43570 | 5/20 | 0.66 |
| ▸ | CA7 | P43166 | 2/20 | 0.64 |
| ▸ | CA14 | Q9ULX7 | 1/20 | 0.64 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.59 |
| ▸ | MEN1 | O00255 | 2/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | ATM | Q13315 | 1/20 | 0.53 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.51 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | CA4 | P22748 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.50 |
| ▸ | CNR2 | P34972 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL16479548 | 0.83 | CA2 (0.66) | CA1CA2CA9CA12CA7 | |
| SCHEMBL27565494 | 0.81 | CA2 (0.68) | CA1CA2CA9CA12CA7 | |
| SCHEMBL14852 | 0.81 | KMT2A (0.61) | CA9CA12KMT2AMEN1CYP1A2 | |
| SCHEMBL14380626 | 0.79 | MEN1 (0.70) | CA1CA2CA9CA12CA7 | |
| SCHEMBL29074465 | 0.79 | KMT2A (0.59) | CA9CA12KMT2AMEN1CYP1A2 | |
| SCHEMBL14380636 | 0.79 | CA2 (0.66) | CA1CA2CA9CA12CA7 | |
| SCHEMBL14318504 | 0.79 | CA12 (0.59) | CA1CA2CA9CA12CA7 | |
| O-Xylene SCHEMBL27934020 | 0.79 | CA2 (0.81) | CA1CA2CA9CA12CA7 | |
| SCHEMBL6552067 | 0.79 | CA1 (0.70) | CA1CA2CA9CA12CA7 | |
| SCHEMBL49549 | 0.78 | CA2 (1.00) | CA1CA2CA9CA12CA7 |
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-1937652-B1 | PYRIMIDINE AMIDE COMPOUNDS AS PGDS INHIBITORS | AVENTIS PHARMA INC (US) | 2014-07-30 | — | — | EP | claimed |
| EP-2493875-A1 | HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | Boehringer Ingelheim International GmbH (DE) | 2012-09-05 | — | — | EP | disclosed |
| EP-2346868-A1 | AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-07-27 | — | — | EP | disclosed |
| WO-2011056440-A1 | HETEROCYCLIC COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2011-05-12 | — | — | WO | disclosed |
| WO-2010036632-A1 | AZAINDAZOLE COMPOUNDS AS CCR1 RECEPTOR ANTAGONISTS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2010-04-01 | — | — | WO | disclosed |
| US-7285549-B2 | Sulfamides and their use as endothelin receptor antagonists | ACTELION PHARMACEUTICALS LTD. (CH) | 2007-10-23 | — | — | US | disclosed |
| US-7285549-B2 | Sulfamides and their use as endothelin receptor antagonists | ACTELION PHARMACEUTICALS LTD. (CH) | 2007-10-23 | — | — | US | disclosed |