Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.51 |
| ▸ | TSHR | P16473 | 3/20 | 0.51 |
| ▸ | ESR1 | P03372 | 2/20 | 0.51 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.51 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.51 |
| ▸ | KDR | P35968 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | LMNA | P02545 | 3/20 | 0.49 |
| ▸ | THRA | P10827 | 1/20 | 0.48 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.46 |
| ▸ | RNASEL | Q05823 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL9763584 | 0.95 | ALDH1A1 (0.51) | ALDH1A1TSHRESR1CHRM1SLC6A2 | |
| SCHEMBL9762683 | 0.90 | CA12 (0.47) | ALDH1A1ESR1SLC6A2MAPTNPC1 | |
| SCHEMBL9763407 | 0.85 | CYP4A11 (0.60) | ALDH1A1TDP1MAPTRAB9ATHRA | |
| SCHEMBL10390471 | 0.84 | PLA2G4B (0.54) | ALDH1A1TSHRESR1CHRM1SLC6A2 | |
| SCHEMBL10985399 | 0.83 | ALDH1A1 (0.60) | ALDH1A1TSHRESR1CHRM1SLC6A2 | |
| SCHEMBL18856299 | 0.83 | ALDH1A1 (0.60) | ALDH1A1TSHRESR1CHRM1SLC6A2 | |
| SCHEMBL10989899 | 0.83 | ALDH1A1 (0.60) | ALDH1A1TSHRESR1CHRM1SLC6A2 | |
| SCHEMBL10947673 | 0.82 | ALDH1A1 (0.64) | ALDH1A1TSHRESR1CHRM1SLC6A2 | |
| SCHEMBL9763639 | 0.80 | RARB (0.50) | ALDH1A1TSHRMAPTTHRATHRB | |
| SCHEMBL10981819 | 0.80 | MAPT (0.69) | ALDH1A1TSHRESR1MAPTNPC1 |
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 |
|---|---|---|---|---|---|---|---|
| US-4990505-A | Treating asthma, bronchitis; adrenergic stimulants | GLAXO GROUP LIMITED (GB) | 1991-02-05 | — | — | US | disclosed |