Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.55 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.52 |
| ▸ | MEN1 | O00255 | 5/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | L3MBTL1 | Q9Y468 | 3/20 | 0.51 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.51 |
| ▸ | POLB | P06746 | 2/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | GAA | P10253 | 3/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.48 |
| ▸ | OPRD1 | P41143 | 2/20 | 0.48 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | PKM | P14618 | 1/20 | 0.48 |
| ▸ | P4HB | P07237 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL6158787 | 0.97 | CYP3A4 (0.54) | CYP3A4CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL11843340 | 0.85 | CYP3A4 (0.58) | CYP3A4CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL4610586 | 0.82 | TSHR (0.49) | CYP3A4CYP2D6ALDH1A1POLBOPRM1 | |
| SCHEMBL6951672 | 0.81 | ALDH1A1 (0.48) | CYP2C9CYP2C19KMT2AALDH1A1MEN1 | |
| SCHEMBL10500107 | 0.80 | CYP3A4 (0.57) | CYP3A4CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL27660443 | 0.79 | ALDH1A1 (0.38) | LMNAKMT2AALDH1A1MEN1L3MBTL1 | |
| SCHEMBL2817086 | 0.78 | CYP2D6 (0.67) | CYP3A4CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL26102667 | 0.77 | LMNA (0.69) | CYP3A4CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL16102788 | 0.77 | CYP3A4 (0.60) | CYP3A4CYP2D6CYP2C9CYP2C19LMNA | |
| SCHEMBL6530831 | 0.77 | CYP2D6 (0.66) | CYP3A4CYP2D6CYP2C9CYP2C19LMNA |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |