Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | BCL2 | P10415 | 1/20 | 0.36 |
| ▸ | KAT6A | Q92794 | 2/20 | 0.35 |
| ▸ | SMYD3 | Q9H7B4 | 1/20 | 0.35 |
| ▸ | CNR2 | P34972 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.35 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.33 |
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.33 |
| ▸ | CYP4F2 | P78329 | 2/20 | 0.33 |
| ▸ | CYP4A11 | Q02928 | 2/20 | 0.33 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.33 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.33 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.33 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.33 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.33 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.33 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.33 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.33 |
| ▸ | IDO1 | P14902 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.31 |
| ▸ | GPR52 | Q9Y2T5 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL21004000 | 0.81 | PTGS1 (0.41) | PTGS2PTGS1GRIN2BGPR52 | |
| SCHEMBL24097054 | 0.80 | ATM (0.44) | PTGS2GPR52 | |
| SCHEMBL16954571 | 0.68 | BCL2 (0.46) | BCL2KAT6ASMYD3CNR2LOXL2 | |
| SCHEMBL22098468 | 0.68 | KAT6A (0.33) | BCL2KAT6ASMYD3CNR2PTGS2 | |
| SCHEMBL27892628 | 0.67 | BCL2 (0.42) | BCL2KAT6ASMYD3CNR2PTGS2 | |
| SCHEMBL11611076 | 0.66 | CNR2 (0.62) | BCL2KAT6ASMYD3CNR2PTGS2 | |
| SCHEMBL22642057 | 0.66 | SMYD3 (0.43) | BCL2KAT6ASMYD3CNR2PTGS2 | |
| SCHEMBL7879528 | 0.66 | KDM4E (0.45) | BCL2KAT6ASMYD3CNR2LOXL2 | |
| SCHEMBL14114075 | 0.66 | KDM4E (0.45) | BCL2KAT6ASMYD3CNR2LOXL2 | |
| SCHEMBL27892629 | 0.66 | THRA (0.46) | BCL2KAT6ASMYD3CNR2PTGS2 |
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-2953952-B1 | MACROCYCLIC PYRIDAZINONE DERIVATIVES | MERCK PATENT GMBH (DE) | 2017-06-07 | — | — | EP | disclosed |