Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | LTB4R2 | Q9NPC1 | 10/20 | 0.48 |
| ▸ | SLC6A3 | Q01959 | 3/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | MMP1 | P03956 | 1/20 | 0.42 |
| ▸ | MMP9 | P14780 | 1/20 | 0.42 |
| ▸ | MMP13 | P45452 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | AGTR1 | P30556 | 2/20 | 0.40 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | AGTR2 | P50052 | 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 | |
|---|---|---|---|---|
| SCHEMBL7477114 | 1.00 | LTB4R2 (0.48) | LTB4R2SLC6A3SLC6A4ALDH1A1MAPT | |
| SCHEMBL3974369 | 0.77 | SLC6A3 (0.49) | LTB4R2SLC6A3SLC6A4ALDH1A1MAPT | |
| SCHEMBL3974372 | 0.74 | BDKRB1 (0.48) | SLC6A3SLC6A4ALDH1A1MAPT | |
| SCHEMBL7015019 | 0.73 | LTB4R2 (0.44) | LTB4R2SLC6A3SLC6A4ALDH1A1MAPT | |
| SCHEMBL7009875 | 0.72 | SLC6A3 (0.43) | SLC6A3SLC6A4ALDH1A1MAPTMAPK1 | |
| SCHEMBL4565092 | 0.71 | TSHR (0.56) | ALDH1A1MAPTTSHRKMT2A | |
| SCHEMBL7479176 | 0.71 | TSHR (0.47) | ALDH1A1MAPTMAPK1TSHRNPSR1 | |
| SCHEMBL29979869 | 0.71 | SLC6A3 (0.69) | LTB4R2SLC6A3SLC6A4TSHRAGTR1 | |
| SCHEMBL14326964 | 0.71 | SLC6A3 (0.69) | LTB4R2SLC6A3SLC6A4TSHRAGTR1 | |
| SCHEMBL9488402 | 0.70 | SLC6A3 (0.63) | SLC6A3SLC6A4ALDH1A1MAPTMAPK1 |
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-0459136-A1 | Benzimidazole derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1991-12-04 | — | — | EP | disclosed |