Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PTGER4 | P35408 | 4/20 | 0.36 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.35 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.33 |
| ▸ | ALDH1A3 | P47895 | 4/20 | 0.33 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.33 |
| ▸ | ALDH3A1 | P30838 | 3/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | HPGD | P15428 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | TTR | P02766 | 1/20 | 0.32 |
| ▸ | KIF11 | P52732 | 2/20 | 0.32 |
| ▸ | TSHR | P16473 | 1/20 | 0.32 |
| ▸ | DRD2 | P14416 | 1/20 | 0.32 |
| ▸ | DRD1 | P21728 | 1/20 | 0.32 |
| ▸ | DRD4 | P21917 | 1/20 | 0.32 |
| ▸ | DRD5 | P21918 | 1/20 | 0.32 |
| ▸ | DRD3 | P35462 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| Oxalic Acid SCHEMBL11722864 | 0.92 | UNG (0.33) | PTGER4CYP2A6ALDH1A1TTR | |
| SCHEMBL11721185 | 0.81 | KDM4E (0.47) | ALDH1A1MEN1GAAMAPTHPGD | |
| SCHEMBL11716102 | 0.79 | PKM (0.35) | KMT2ATSHR | |
| SCHEMBL11715464 | 0.77 | PDK2 (0.36) | CYP2A6ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL11714685 | 0.76 | MEN1 (0.36) | CYP2A6ALDH1A1MEN1MAPTKMT2A | |
| SCHEMBL11715541 | 0.76 | MEN1 (0.39) | ALDH1A1MEN1GAAMAPTHPGD | |
| SCHEMBL11720987 | 0.76 | PARK7 (0.37) | CYP2A6MAPT | |
| SCHEMBL11721089 | 0.76 | GABRA1 (0.33) | — | |
| Fumaric Acid SCHEMBL11716905 | 0.73 | MAPT (0.36) | ALDH1A1MEN1GAAMAPTHPGD | |
| SCHEMBL11713825 | 0.72 | PGR (0.42) | CYP2A6DRD2DRD3 |
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-4064139-A | TRANQUILIZERS, ANTICONVULSANTS, MUSCLE RELAXANTS, ANTI-PARKINSON'S DISEASE | MERCK & CO., INC. (US) | 1977-12-20 | — | — | US | disclosed |