Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 3/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 3/20 | 0.39 |
| ▸ | USP2 | O75604 | 1/20 | 0.39 |
| ▸ | PARP1 | P09874 | 1/20 | 0.38 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 4/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.37 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.37 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.37 |
| ▸ | MAP2K2 | P36507 | 1/20 | 0.36 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.35 |
| ▸ | NPC1 | O15118 | 2/20 | 0.35 |
| ▸ | PLAU | P00749 | 1/20 | 0.35 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL5264419 | 0.83 | KDM4E (0.41) | ALDH1A1HPGDKDM4EGAAUSP2 | |
| SCHEMBL688068 | 0.81 | MAP2K2 (0.37) | ALDH1A1HPGDRAB9APARP1CYP1A2 | |
| SCHEMBL5261896 | 0.81 | KEAP1 (0.40) | PARP1MAPTMAPK8 | |
| SCHEMBL9892496 | 0.80 | HPGD (0.45) | ALDH1A1HPGDKDM4ERAB9AGAA | |
| SCHEMBL5262040 | 0.79 | KDM4E (0.48) | ALDH1A1HPGDKDM4ERAB9AGAA | |
| SCHEMBL5265319 | 0.78 | CES2 (0.42) | ALDH1A1HPGDKDM4EGAAKMT2A | |
| SCHEMBL5262595 | 0.76 | KMT2A (0.51) | ALDH1A1KDM4ERAB9AGAAMEN1 | |
| SCHEMBL5264005 | 0.74 | NOS3 (0.41) | KDM4EGAAKMT2AMAPK8 | |
| SCHEMBL26805463 | 0.71 | HSP90AB1 (0.46) | ALDH1A1HPGDKDM4ERAB9AGAA | |
| SCHEMBL26805462 | 0.71 | HSP90AB1 (0.46) | ALDH1A1HPGDKDM4ERAB9AGAA |
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 |