Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NOS3 | P29474 | 2/20 | 0.41 |
| ▸ | NOS1 | P29475 | 2/20 | 0.41 |
| ▸ | NOS2 | P35228 | 2/20 | 0.41 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.41 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.40 |
| ▸ | PIM1 | P11309 | 1/20 | 0.38 |
| ▸ | GRIN2B | Q13224 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | GAA | P10253 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.36 |
| ▸ | HDAC1 | Q13547 | 1/20 | 0.36 |
| ▸ | HDAC2 | Q92769 | 1/20 | 0.36 |
| ▸ | ABL1 | P00519 | 1/20 | 0.36 |
| ▸ | BCR | P11274 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 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 | |
|---|---|---|---|---|
| SCHEMBL5262040 | 0.82 | KDM4E (0.48) | NOS2KDM4EGAAKMT2APOLB | |
| SCHEMBL15108843 | 0.81 | SLC6A2 (0.47) | NOS3NOS1NOS2CHEK1SLC6A2 | |
| SCHEMBL5265319 | 0.78 | CES2 (0.42) | NOS3NOS1NOS2MAPK8KDM4E | |
| SCHEMBL6518415 | 0.77 | CHEK1 (0.49) | CHEK1SLC6A2SLC6A4MAPK8PIM1 | |
| SCHEMBL5261896 | 0.76 | KEAP1 (0.40) | MAPK8JAK2 | |
| SCHEMBL12569554 | 0.76 | CHEK1 (0.46) | CHEK1SLC6A2SLC6A4MAPK8PIM1 | |
| SCHEMBL5264007 | 0.75 | CHEK1 (0.43) | NOS3NOS1NOS2CHEK1SLC6A2 | |
| SCHEMBL5263625 | 0.75 | PARP10 (0.52) | NOS3NOS1NOS2KMT2A | |
| SCHEMBL5264419 | 0.74 | KDM4E (0.41) | KDM4EGAAKMT2APOLB | |
| SCHEMBL9372777 | 0.74 | P2RX1 (0.47) | CHEK1SLC6A2SLC6A4MAPK8PIM1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-1740551-A1 | HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR | Takeda Pharmaceutical Company Limited (JP) | 2007-01-10 | — | — | EP | disclosed |
| WO-2005105760-A1 | HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF AS AN MMP-13 INHIBITOR | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-11-10 | — | — | WO | disclosed |