Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | RAD51 | Q06609 | 1/20 | 0.42 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.41 |
| ▸ | KIF11 | P52732 | 5/20 | 0.40 |
| ▸ | MAOB | P27338 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.37 |
| ▸ | BACE1 | P56817 | 1/20 | 0.37 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.36 |
| ▸ | KDM1A | O60341 | 1/20 | 0.36 |
| ▸ | GLO1 | Q04760 | 1/20 | 0.36 |
| ▸ | F2RL3 | Q96RI0 | 1/20 | 0.36 |
| ▸ | GRM5 | P41594 | 1/20 | 0.36 |
| ▸ | CASP1 | P29466 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23297365 | 0.71 | HDAC1 (0.60) | HDAC1MAPTSMN1; SMN2KDM4E | |
| SCHEMBL13757481 | 0.69 | PTGS2 (0.46) | RAD51KIF11NPC1MAPTRAB9A | |
| SCHEMBL2629316 | 0.68 | KEAP1 (0.58) | KIF11PTGS2F2RL3 | |
| SCHEMBL14557164 | 0.68 | ALDH1A1 (0.46) | RAD51KIF11MAOBNPC1MAPT | |
| SCHEMBL4474644 | 0.68 | NPY5R (0.44) | RAD51KIF11NPC1MAPTRAB9A | |
| SCHEMBL28067066 | 0.67 | KIF11 (0.44) | KIF11MAOBNPC1RAB9ASMN1; SMN2 | |
| SCHEMBL20203714 | 0.66 | CYP1A2 (0.69) | KDM4E | |
| SCHEMBL20812769 | 0.66 | HTT (0.48) | SMN1; SMN2KDM4E | |
| SCHEMBL10966762 | 0.66 | LMNA (0.61) | KIF11NPC1MAPTRAB9ASMN1; SMN2 | |
| SCHEMBL4717327 | 0.65 | ABL1 (0.57) | KIF11 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1863818-B1 | ACETYLENYL-PYRAZOLO-PVRIMIDINE DERIVATIVES AS MGLUR2 ANTAGONISTS | HOFFMANN LA ROCHE (CH) | 2010-03-10 | — | — | EP | disclosed |