Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGDR2 | Q9Y5Y4 | 5/20 | 0.46 |
| ▸ | NOTUM | Q6P988 | 2/20 | 0.46 |
| ▸ | POLB | P06746 | 1/20 | 0.44 |
| ▸ | BRD4 | O60885 | 3/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | HTT | P42858 | 1/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | AR | P10275 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.40 |
| ▸ | CCNC | P24863 | 1/20 | 0.39 |
| ▸ | CDK8 | P49336 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL2311708 | 0.84 | HSP90AA1 (0.35) | PTGDR2NOTUM | |
| SCHEMBL3236371 | 0.81 | PTGDR2 (0.44) | PTGDR2 | |
| SCHEMBL3237136 | 0.81 | TYR (0.39) | PTGDR2BRD4KDM4EMEN1KMT2A | |
| SCHEMBL3243476 | 0.81 | ALDH1A1 (0.36) | BRD4SMN1; SMN2KDM4ETP53LMNA | |
| SCHEMBL3239397 | 0.80 | ALDH1A1 (0.40) | BRD4TSHR | |
| SCHEMBL3238452 | 0.80 | BRD9 (0.36) | POLBSMN1; SMN2HTTLMNAMEN1 | |
| SCHEMBL3242838 | 0.80 | CASP3 (0.33) | — | |
| SCHEMBL3633919 | 0.78 | MEN1 (0.45) | NOTUMKDM4EMEN1KMT2A | |
| SCHEMBL3232124 | 0.78 | HDAC1 (0.39) | SMN1; SMN2KDM4EHTTLMNAMEN1 | |
| SCHEMBL3243756 | 0.77 | BRD4 (0.36) | BRD4SMN1; SMN2KDM4EMEN1KMT2A |
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-2010045948-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-04-29 | — | — | WO | claimed |
| WO-2010045948-A1 | ISOQUINOLINONE DERIVATIVES AS NK3 ANTAGONISTS | H. LUNDBECK A/S (DK) | 2010-04-29 | — | — | WO | disclosed |