Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.35 |
| ▸ | LPAR1 | Q92633 | 1/20 | 0.34 |
| ▸ | LPAR5 | Q9H1C0 | 1/20 | 0.34 |
| ▸ | CCNE2 | O96020 | 2/20 | 0.34 |
| ▸ | CCNE1 | P24864 | 2/20 | 0.34 |
| ▸ | CDK2 | P24941 | 2/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.33 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.32 |
| ▸ | TSPO | P30536 | 3/20 | 0.32 |
| ▸ | TPH1 | P17752 | 1/20 | 0.32 |
| ▸ | SLC22A12 | Q96S37 | 1/20 | 0.32 |
| ▸ | NOS1 | P29475 | 1/20 | 0.32 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | HTR2A | P28223 | 1/20 | 0.32 |
| ▸ | KCNH2 | Q12809 | 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 | |
|---|---|---|---|---|
| SCHEMBL18398276 | 0.87 | NSD2 (0.34) | ALDH1A1SMN1; SMN2CCNE2CCNE1CDK2 | |
| SCHEMBL18409437 | 0.83 | ALDH1A1 (0.36) | KDM4EALDH1A1SMN1; SMN2CCNE2CCNE1 | |
| SCHEMBL18398185 | 0.80 | JAK2 (0.36) | KDM4EALDH1A1SMN1; SMN2CCNE2CCNE1 | |
| SCHEMBL18398366 | 0.77 | LMNA (0.36) | SLC6A4SLC22A12HTR2AKCNH2 | |
| SCHEMBL18409146 | 0.75 | CCNE2 (0.42) | ALDH1A1SMN1; SMN2CCNE2CCNE1CDK2 | |
| SCHEMBL18398467 | 0.74 | MAPT (0.37) | KDM4EALDH1A1LPAR1LPAR5P2RX7 | |
| SCHEMBL16909254 | 0.71 | L3MBTL1 (0.42) | ALDH1A1SMN1; SMN2SLC6A4L3MBTL1HTR2A | |
| SCHEMBL18409328 | 0.70 | NR1H4 (0.38) | KDM4ESMN1; SMN2L3MBTL1KCNH2 | |
| SCHEMBL18398407 | 0.69 | CCNE2 (0.37) | KDM4EALDH1A1SMN1; SMN2CCNE2CCNE1 | |
| SCHEMBL18398457 | 0.68 | CCNE2 (0.35) | KDM4EALDH1A1SMN1; SMN2CCNE2CCNE1 |
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-2017012647-A1 | NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS | GALAPAGOS NV (BE) | 2017-01-26 | — | — | WO | disclosed |
| WO-2017012647-A1 | NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS | GALAPAGOS NV (BE) | 2017-01-26 | — | — | WO | disclosed |