Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | TACR3 | P29371 | 12/20 | 0.42 |
| ▸ | OPRL1 | P41146 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | PDE2A | O00408 | 2/20 | 0.33 |
| ▸ | REN | P00797 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL11917789 | 1.00 | CYP2C9 (0.44) | CYP2C9TACR3OPRL1MEN1KMT2A | |
| SCHEMBL7950620 | 0.94 | CYP2C9 (0.43) | CYP2C9TACR3OPRL1MEN1KMT2A | |
| SCHEMBL11917790 | 0.94 | CYP2C9 (0.43) | CYP2C9TACR3OPRL1MEN1KMT2A | |
| SCHEMBL16566393 | 0.90 | CYP2C9 (0.47) | CYP2C9TACR3OPRL1MEN1KMT2A | |
| SCHEMBL11917791 | 0.90 | CYP2C9 (0.47) | CYP2C9TACR3OPRL1MEN1KMT2A | |
| SCHEMBL11917794 | 0.90 | CYP2C9 (0.47) | CYP2C9TACR3OPRL1MEN1KMT2A | |
| SCHEMBL7942563 | 0.90 | CYP2C9 (0.47) | CYP2C9TACR3OPRL1MEN1KMT2A | |
| SCHEMBL11917787 | 0.90 | CYP2C9 (0.47) | CYP2C9TACR3OPRL1MEN1KMT2A | |
| SCHEMBL7948901 | 0.87 | CYP2C9 (0.50) | CYP2C9TACR3PDE2A | |
| SCHEMBL7948710 | 0.87 | CYP2C9 (0.42) | CYP2C9TACR3OPRL1MEN1KMT2A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2342182-B1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | LUNDBECK & CO AS H (DK) | 2012-11-14 | — | — | EP | disclosed |
| WO-2010028655-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-03-18 | — | — | WO | disclosed |