Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ROCK2 | O75116 | 3/20 | 0.33 |
| ▸ | ROCK1 | Q13464 | 3/20 | 0.33 |
| ▸ | ADORA2B | P29275 | 1/20 | 0.33 |
| ▸ | TACR3 | P29371 | 3/20 | 0.33 |
| ▸ | PAK4 | O96013 | 1/20 | 0.33 |
| ▸ | PPARG | P37231 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.32 |
| ▸ | GNRHR | P30968 | 2/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | PTGER3 | P43115 | 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 | |
|---|---|---|---|---|
| SCHEMBL1364900 | 0.88 | CYP2C9 (0.46) | TACR3PPARGCYP2C9 | |
| SCHEMBL1366497 | 0.87 | CYP2C9 (0.43) | TACR3PPARGCYP2C9 | |
| SCHEMBL7918066 | 0.85 | PPARG (0.39) | ROCK2ROCK1PPARGGNRHRTP53 | |
| SCHEMBL12151037 | 0.84 | S1PR3 (0.37) | TACR3PPARGCYP2C9GNRHRTP53 | |
| SCHEMBL7914678 | 0.83 | POLB (0.36) | PPARGGNRHRTP53POLB | |
| SCHEMBL7911647 | 0.83 | GNRHR (0.42) | PTGDR2MAPK1GNRHRTP53POLB | |
| SCHEMBL12151141 | 0.83 | KDM4E (0.37) | TACR3PPARGCYP2C9GNRHRTP53 | |
| SCHEMBL7914357 | 0.82 | TP53 (0.40) | PPARGPTGDR2GNRHRTP53POLB | |
| SCHEMBL7914360 | 0.81 | S1PR3 (0.39) | TACR3CYP2C9 | |
| SCHEMBL7911458 | 0.81 | KLKB1 (0.40) | MAPK1GNRHRTP53POLB |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010045948-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-04-29 | — | — | WO | disclosed |