Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HIF1A | Q16665 | 2/20 | 0.82 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.82 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.82 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.82 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.82 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.82 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.82 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.82 |
| ▸ | LMNA | P02545 | 1/20 | 0.82 |
| ▸ | ESR1 | P03372 | 1/20 | 0.82 |
| ▸ | PGR | P06401 | 1/20 | 0.82 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.82 |
| ▸ | PKM | P14618 | 1/20 | 0.82 |
| ▸ | TSHR | P16473 | 1/20 | 0.82 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.82 |
| ▸ | HTR2A | P28223 | 1/20 | 0.82 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.82 |
| ▸ | HRH1 | P35367 | 1/20 | 0.82 |
| ▸ | HTR2B | P41595 | 1/20 | 0.82 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.82 |
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 | |
|---|---|---|---|---|
| Clemizole SCHEMBL29938 | 0.90 | HIF1A (1.00) | HIF1ATDP1CYP1A2CYP2D6CYP2C9 | |
| Clemizole SCHEMBL29403196 | 0.90 | HIF1A (1.00) | HIF1ATDP1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL13187056 | 0.89 | HIF1A (0.97) | HIF1ATDP1CYP1A2CYP2D6CYP2C9 | |
| Clemizole SCHEMBL31707402 | 0.89 | HIF1A (1.00) | HIF1ATDP1CYP1A2CYP2D6CYP2C9 | |
| SCHEMBL13186938 | 0.89 | HIF1A (0.97) | HIF1ATDP1CYP1A2CYP2D6CYP2C9 | |
| Clemizole SCHEMBL19976068 | 0.89 | HIF1A (0.97) | HIF1ATDP1CYP1A2CYP2D6CYP2C9 | |
| Clemizole SCHEMBL19976072 | 0.89 | HIF1A (0.97) | HIF1ATDP1CYP1A2CYP2D6CYP2C9 | |
| Clemizole SCHEMBL210095 | 0.89 | HIF1A (1.00) | HIF1ATDP1CYP1A2CYP2D6CYP2C9 | |
| Clemizole SCHEMBL9444743 | 0.86 | HIF1A (0.86) | HIF1ATDP1CYP1A2CYP2D6CYP2C9 | |
| Clemizole SCHEMBL3737473 | 0.86 | HIF1A (0.86) | HIF1ATDP1CYP1A2CYP2D6CYP2C9 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010132810-A1 | DEUTERIUM MODIFIED BENZIMIDAZOLES | CONCERT PHARMACEUTICALS, INC. (US) | 2010-11-18 | — | — | WO | disclosed |