Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM1 | Q13255 | 9/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 1/20 | 0.39 |
| ▸ | MARS1 | P56192 | 1/20 | 0.37 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.37 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.36 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.36 |
| ▸ | CYP2E1 | P05181 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | TUBB4A | P04350 | 1/20 | 0.36 |
| ▸ | TUBB | P07437 | 1/20 | 0.36 |
| ▸ | TUBA3C | P0DPH7 | 1/20 | 0.36 |
| ▸ | TUBA1B | P68363 | 1/20 | 0.36 |
| ▸ | TUBA4A | P68366 | 1/20 | 0.36 |
| ▸ | TUBB4B | P68371 | 1/20 | 0.36 |
| ▸ | TUBB3 | Q13509 | 1/20 | 0.36 |
| ▸ | TUBB2A | Q13885 | 1/20 | 0.36 |
| ▸ | TUBB8 | Q3ZCM7 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL3633919 | 0.87 | MEN1 (0.45) | ALDH1A1 | |
| SCHEMBL3626683 | 0.83 | NOTUM (0.42) | GRM1HTTALDH1A1 | |
| SCHEMBL1551329 | 0.81 | AKR1C3 (0.37) | GRM1TLR8HTTCYP2E1CYP3A4 | |
| SCHEMBL3631491 | 0.81 | ABCB1 (0.49) | HTTALDH1A1 | |
| SCHEMBL3633758 | 0.81 | NOTUM (0.44) | GRM1ALDH1A1TUBB4ATUBBTUBA3C | |
| SCHEMBL3632701 | 0.80 | KDM4E (0.47) | ALDH1A1 | |
| SCHEMBL3633608 | 0.79 | ABCB1 (0.53) | — | |
| SCHEMBL3631115 | 0.79 | CA12 (0.43) | ALDH1A1 | |
| SCHEMBL3632542 | 0.78 | KMT2A (0.43) | ALDH1A1 | |
| SCHEMBL1550187 | 0.77 | ABCB1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009156339-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2009-12-30 | — | — | WO | claimed |
| WO-2009156339-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2009-12-30 | — | — | WO | disclosed |