Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.53 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.53 |
| ▸ | BACE1 | P56817 | 1/20 | 0.53 |
| ▸ | PTGES | O14684 | 2/20 | 0.46 |
| ▸ | HTR6 | P50406 | 3/20 | 0.41 |
| ▸ | CRHBP | P24387 | 1/20 | 0.41 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.41 |
| ▸ | HTR2A | P28223 | 3/20 | 0.41 |
| ▸ | HTR1A | P08908 | 1/20 | 0.41 |
| ▸ | DRD2 | P14416 | 1/20 | 0.41 |
| ▸ | HTR7 | P34969 | 1/20 | 0.41 |
| ▸ | MAOB | P27338 | 2/20 | 0.41 |
| ▸ | CSNK2A1 | P68400 | 2/20 | 0.41 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.40 |
| ▸ | LOXL2 | Q9Y4K0 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 2/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL98895 | 0.88 | ALDH1A1 (0.56) | ALDH1A1TDP1PTGESCRHBPCRHR2 | |
| SCHEMBL98747 | 0.85 | TDP1 (0.53) | ALDH1A1TDP1PTGESCRHBPCRHR2 | |
| SCHEMBL3905288 | 0.83 | ALDH1A1 (0.58) | ALDH1A1TDP1PTGESCRHBPCRHR2 | |
| SCHEMBL27559990 | 0.82 | FFAR1 (0.53) | ALDH1A1TDP1RAB9A | |
| SCHEMBL279052 | 0.81 | ALDH1A1 (0.56) | ALDH1A1TDP1PTGESCRHBPCRHR2 | |
| SCHEMBL15860172 | 0.81 | ALDH1A1 (0.56) | ALDH1A1TDP1PTGESCRHBPCRHR2 | |
| SCHEMBL3904427 | 0.81 | ALDH1A1 (0.56) | ALDH1A1TDP1PTGESCRHBPCRHR2 | |
| SCHEMBL9590489 | 0.81 | ALDH1A1 (0.56) | ALDH1A1TDP1PTGESCRHBPCRHR2 | |
| SCHEMBL3276779 | 0.81 | ALDH1A1 (0.49) | ALDH1A1TDP1PTGESMAPT | |
| SCHEMBL31349171 | 0.79 | ALDH1A1 (0.61) | ALDH1A1TDP1CRHBPCRHR2MAPT |
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-2426121-A1 | QUATERNARY AMMONIUM SALT COMPOUND | Teijin Pharma Limited (JP) | 2012-03-07 | — | — | EP | disclosed |