Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | HTT | P42858 | 1/20 | 0.40 |
| ▸ | DRD2 | P14416 | 3/20 | 0.39 |
| ▸ | DRD3 | P35462 | 3/20 | 0.39 |
| ▸ | DRD4 | P21917 | 1/20 | 0.39 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.39 |
| ▸ | MAOA | P21397 | 1/20 | 0.39 |
| ▸ | MAOB | P27338 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.38 |
| ▸ | HTR2A | P28223 | 2/20 | 0.38 |
| ▸ | HTR7 | P34969 | 2/20 | 0.38 |
| ▸ | HTR2B | P41595 | 2/20 | 0.38 |
| ▸ | MAPK13 | O15264 | 1/20 | 0.38 |
| ▸ | MAPK12 | P53778 | 1/20 | 0.38 |
| ▸ | MAPK11 | Q15759 | 1/20 | 0.38 |
| ▸ | MAPK14 | Q16539 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9873515 | 0.98 | ALDH1A1 (0.41) | ALDH1A1MAPK1GAALMNAHTT | |
| Hydrochloric Acid SCHEMBL9872919 | 0.93 | SLC2A1 (0.40) | ALDH1A1MAPK1GAALMNAHTT | |
| Hydrochloric Acid SCHEMBL9872627 | 0.90 | HTR1A (0.39) | DRD2DRD3MAOAMAOBHTR1A | |
| Hydrochloric Acid SCHEMBL9876074 | 0.89 | ALDH1A1 (0.44) | ALDH1A1MAPK1GAALMNAHTT | |
| Hydrochloric Acid SCHEMBL9872076 | 0.87 | ALDH1A1 (0.48) | ALDH1A1MAPK1MAOAMAOB | |
| SCHEMBL9873354 | 0.85 | ALDH1A1 (0.44) | ALDH1A1DRD2DRD3MAOAMAOB | |
| Hydrochloric Acid SCHEMBL9871681 | 0.84 | ALDH1A1 (0.43) | ALDH1A1DRD2DRD3MAOAMAOB | |
| Hydrochloric Acid SCHEMBL9873828 | 0.84 | HTR1A (0.46) | ALDH1A1DRD2DRD3SLC6A3HTR1A | |
| Hydrochloric Acid SCHEMBL9871329 | 0.84 | DPP4 (0.40) | DRD2DRD3SLC6A3HTR1AHTR2A | |
| Hydrochloric Acid SCHEMBL9873522 | 0.83 | BACE1 (0.42) | DRD2DRD3SLC6A3HTR1AHTR2A |
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-5039706-A | Antiinflammatory, antiallergenic agent | DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1991-08-13 | — | — | US | disclosed |