Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AOC3 | Q16853 | 1/20 | 0.42 |
| ▸ | SLC6A4 | P31645 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.37 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ADRA2C | P18825 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.35 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.35 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.35 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | RGS12 | O14924 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL4451205 | 0.84 | ALDH1A1 (0.38) | AOC3SLC6A4ALDH1A1ALOX15ADRA2C | |
| SCHEMBL10772333 | 0.80 | AOC3 (0.46) | AOC3SLC6A4ALDH1A1ALOX15SMN1; SMN2 | |
| SCHEMBL4459729 | 0.71 | ALDH1A1 (0.35) | SLC6A4ALDH1A1ALOX15ADRA2CKDM4E | |
| SCHEMBL18544240 | 0.71 | ALDH1A1 (0.58) | ALDH1A1ALOX15HIF1ACYP3A4CYP2D6 | |
| SCHEMBL6666755 | 0.71 | AOC3 (0.52) | AOC3SLC6A4ALDH1A1ALOX15SMN1; SMN2 | |
| SCHEMBL6809764 | 0.71 | ALDH1A1 (0.46) | ALDH1A1ALOX15HIF1ACYP3A4CYP2D6 | |
| SCHEMBL11770121 | 0.71 | SLC6A4 (0.39) | AOC3SLC6A4ALDH1A1ADRA2CKDM4E | |
| SCHEMBL25237701 | 0.70 | AOC3 (0.50) | AOC3SLC6A4ALDH1A1ALOX15SMN1; SMN2 | |
| SCHEMBL8930612 | 0.70 | AOC3 (0.50) | AOC3SLC6A4ALDH1A1ALOX15SMN1; SMN2 | |
| SCHEMBL4451203 | 0.69 | MAPK1 (0.39) | SLC6A4ALDH1A1ALOX15ADRA2CADRA2A |
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-20100082306-A1 | System and method of computing the nature of atoms and molecules using classical physical laws | BLACKLIGHT POWER, INC. | 2010-04-01 | — | — | US | disclosed |