Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.41 |
| ▸ | MAPT | P10636 | 6/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | POLB | P06746 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.40 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.40 |
| ▸ | TSHR | P16473 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
| ▸ | MEN1 | O00255 | 3/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 3/20 | 0.38 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1903512 | 0.84 | KDM4E (0.50) | ALDH1A1MAPTPOLBHPGDCYP3A4 | |
| SCHEMBL9512487 | 0.83 | ALDH1A1 (0.45) | ALDH1A1MAPTHSD17B10HPGDMAPK1 | |
| SCHEMBL5263528 | 0.81 | PLK1 (0.45) | ALDH1A1NPC1RAB9AMKNK1MKNK2 | |
| SCHEMBL14454097 | 0.80 | POLB (0.43) | ALDH1A1MAPTHSD17B10POLBHPGD | |
| SCHEMBL16696027 | 0.80 | P2RX7 (0.43) | ALDH1A1MAPTHSD17B10POLBHPGD | |
| SCHEMBL5261951 | 0.79 | CA12 (0.47) | ALDH1A1MAPTHSD17B10POLBTSHR | |
| SCHEMBL3014819 | 0.77 | PTGS2 (0.51) | ALDH1A1MAPTPOLBHPGDCYP3A4 | |
| SCHEMBL311565 | 0.77 | PARP1 (0.46) | ALDH1A1MAPTHSD17B10POLBHPGD | |
| SCHEMBL29623796 | 0.76 | KDM4E (0.47) | ALDH1A1HSD17B10POLBHPGDCYP3A4 | |
| SCHEMBL688886 | 0.75 | GPR35 (0.62) | ALDH1A1MAPTHPGDCYP3A4NPC1 |
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 |