Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.48 |
| ▸ | NOS2 | P35228 | 2/20 | 0.44 |
| ▸ | PARP1 | P09874 | 2/20 | 0.43 |
| ▸ | PARP10 | Q53GL7 | 2/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.43 |
| ▸ | PARP4 | Q9UKK3 | 1/20 | 0.43 |
| ▸ | PLA2G10 | O15496 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 3/20 | 0.41 |
| ▸ | HTT | P42858 | 2/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.41 |
| ▸ | RAB9A | P51151 | 5/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.40 |
| ▸ | MEN1 | O00255 | 1/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 4/20 | 0.40 |
| ▸ | CASP1 | P29466 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL5265641 | 0.88 | KDM4E (0.44) | KDM4ENOS2PARP1PARP10CA1 | |
| SCHEMBL5263625 | 0.79 | PARP10 (0.52) | NOS2PARP10SMN1; SMN2ALDH1A1MEN1 | |
| SCHEMBL5264746 | 0.79 | ALDH1A1 (0.39) | KDM4EPARP1MAPTHTTRAB9A | |
| SCHEMBL5264419 | 0.79 | KDM4E (0.41) | KDM4EMAPTHTTALDH1A1MEN1 | |
| SCHEMBL12328328 | 0.78 | KDM4E (0.50) | KDM4ENOS2PARP1PARP10CA1 | |
| SCHEMBL5261896 | 0.78 | KEAP1 (0.40) | PARP1MAPT | |
| SCHEMBL688068 | 0.78 | MAP2K2 (0.37) | PARP1RAB9ASMN1; SMN2ALDH1A1NPC1 | |
| SCHEMBL2835948 | 0.76 | PARP1 (0.55) | KDM4EPARP1PARP10CA1CA2 | |
| SCHEMBL12329333 | 0.74 | KDM4E (0.47) | KDM4ENOS2PARP1PARP10CA1 | |
| SCHEMBL11013421 | 0.73 | KDM4E (0.49) | KDM4EPARP1PARP10CA1CA2 |
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 |