Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 1/20 | 0.44 |
| ▸ | CHKA | P35790 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 3/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.38 |
| ▸ | HSD11B1 | P28845 | 8/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 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 | |
|---|---|---|---|---|
| SCHEMBL4609731 | 0.98 | CA2 (0.47) | CA2CHKAMEN1KMT2AHSD11B1 | |
| SCHEMBL4610760 | 0.98 | CA2 (0.47) | CA2CHKAMEN1KMT2AHSD11B1 | |
| SCHEMBL8177031 | 0.78 | ALDH1A1 (0.46) | KMT2ASMN1; SMN2LMNAALDH1A1TP53 | |
| SCHEMBL1127702 | 0.77 | ALDH1A1 (0.49) | SMN1; SMN2LMNAALDH1A1TP53 | |
| SCHEMBL7994140 | 0.77 | CA2 (0.39) | CA2CHKAHSD11B1CYP1A2ALDH1A1 | |
| SCHEMBL6543859 | 0.77 | ALDH1A1 (0.49) | SMN1; SMN2LMNAALDH1A1TP53 | |
| Hydrochloric Acid SCHEMBL6544280 | 0.76 | ALDH1A1 (0.48) | SMN1; SMN2LMNAALDH1A1TP53 | |
| SCHEMBL8296784 | 0.75 | CA2 (0.36) | CA2CHKAMEN1KMT2AHSD11B1 | |
| SCHEMBL6158921 | 0.75 | CA2 (0.36) | CA2CHKAMEN1KMT2AHSD11B1 | |
| SCHEMBL2674112 | 0.74 | CA2 (0.45) | CA2CHKAMEN1KMT2AHSD11B1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101374811-A | Novel dual nk2/nk3-antagonists, pharmaceutical compositions comprising them and processes for their preparations | SOLVAY PHARM GMBH (DE) | 2009-02-25 | — | — | CN | disclosed |
| EP-1979319-A1 | NOVEL DUAL NK2/NK3-ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND PROCESSES FOR THEIR PREPARATIONS | Solvay Pharmaceuticals GmbH (DE) | 2008-10-15 | — | — | EP | disclosed |
| WO-2007088181-A1 | NOVEL DUAL NK2/NK3-ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND PROCESSES FOR THEIR PREPARATIONS | SOLVAY PHARMACEUTICALS GMBH (DE) | 2007-08-09 | — | — | WO | disclosed |
| WO-2007088181-A1 | NOVEL DUAL NK2/NK3-ANTAGONISTS, PHARMACEUTICAL COMPOSITIONS COMPRISING THEM AND PROCESSES FOR THEIR PREPARATIONS | SOLVAY PHARMACEUTICALS GMBH (DE) | 2007-08-09 | — | — | WO | disclosed |