Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | LTA4H | P09960 | 2/20 | 0.41 |
| ▸ | MLNR | O43193 | 1/20 | 0.40 |
| ▸ | NR1I2 | O75469 | 1/20 | 0.40 |
| ▸ | ESR1 | P03372 | 1/20 | 0.40 |
| ▸ | NR3C1 | P04150 | 1/20 | 0.40 |
| ▸ | PGR | P06401 | 1/20 | 0.40 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.40 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.40 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.40 |
| ▸ | HTR1A | P08908 | 1/20 | 0.40 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.40 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.40 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 1/20 | 0.40 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.40 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.40 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.40 |
| ▸ | MAOA | P21397 | 1/20 | 0.40 |
| ▸ | CNR1 | P21554 | 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 | |
|---|---|---|---|---|
| SCHEMBL11578028 | 0.85 | ALDH1A1 (0.42) | ALDH1A1LTA4HMLNRNR1I2ESR1 | |
| SCHEMBL11617114 | 0.85 | ALDH1A1 (0.42) | ALDH1A1LTA4HMLNRNR1I2ESR1 | |
| SCHEMBL8907429 | 0.85 | ALDH1A1 (0.42) | ALDH1A1LTA4HMLNRNR1I2ESR1 | |
| SCHEMBL11683951 | 0.80 | TSHR (0.36) | ALDH1A1LTA4HCHRM1DRD2HTR2A | |
| SCHEMBL6547814 | 0.79 | LTA4H (0.46) | ALDH1A1LTA4HMLNRNR1I2ESR1 | |
| SCHEMBL8032386 | 0.79 | CSNK1E (0.46) | ALDH1A1LTA4HMLNRNR1I2ESR1 | |
| SCHEMBL7995558 | 0.79 | LTA4H (0.46) | ALDH1A1LTA4HMLNRNR1I2ESR1 | |
| SCHEMBL5536701 | 0.79 | LTA4H (0.46) | ALDH1A1LTA4HMLNRNR1I2ESR1 | |
| SCHEMBL18430836 | 0.79 | LTA4H (0.46) | ALDH1A1LTA4HMLNRNR1I2ESR1 | |
| SCHEMBL28592584 | 0.79 | LTA4H (0.46) | ALDH1A1LTA4HMLNRNR1I2ESR1 |
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-0928966-B1 | Reactands for the determination of amines by chemical sensors | SPICHIGER KELLER DR URSULA (CH) | 2010-02-24 | — | — | EP | claimed |