Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA2 | P00918 | 6/20 | 0.65 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.65 |
| ▸ | CA1 | P00915 | 4/20 | 0.49 |
| ▸ | SLC1A2 | P43004 | 3/20 | 0.47 |
| ▸ | SLC1A1 | P43005 | 3/20 | 0.47 |
| ▸ | SLC1A3 | P43003 | 2/20 | 0.47 |
| ▸ | GRIK1 | P39086 | 2/20 | 0.42 |
| ▸ | GRIK2 | Q13002 | 2/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | PPARG | P37231 | 1/20 | 0.41 |
| ▸ | MMP8 | P22894 | 2/20 | 0.38 |
| ▸ | MMP2 | P08253 | 1/20 | 0.38 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.38 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.38 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | DRD3 | P35462 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| 2-Ethylhexanoic Acid SCHEMBL9763737 | 0.84 | CA2 (0.83) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL27457269 | 0.84 | CA2 (0.83) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL9439018 | 0.84 | CA2 (0.65) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL11502267 | 0.83 | CA2 (0.62) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL5372716 | 0.83 | CA2 (0.62) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| Norleucine SCHEMBL28461745 | 0.82 | SLC1A2 (0.49) | SLC1A2SLC1A1SLC1A3GRIK1GRIK2 | |
| 2-Ethylhexanoic Acid SCHEMBL11328410 | 0.81 | CA2 (0.61) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL5874543 | 0.80 | CA2 (0.91) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL301319 | 0.80 | CA2 (1.00) | CA2MAPK1CA1SLC1A2SLC1A1 | |
| 2-Ethylhexanoic Acid SCHEMBL8387406 | 0.80 | CA2 (1.00) | CA2MAPK1CA1SLC1A2SLC1A1 |
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-4101328-A | ZINC-SURFACED STEEL SUBSTRATE, PH ADJUSTING AMINE | A. F. INDUSTRIES, INC. (US) | 1978-07-18 | — | — | US | disclosed |