Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | DRD2 | P14416 | 1/20 | 0.49 |
| ▸ | DRD4 | P21917 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 2/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.47 |
| ▸ | GAA | P10253 | 1/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 6/20 | 0.45 |
| ▸ | PTGS1 | P23219 | 4/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.45 |
| ▸ | ATM | Q13315 | 1/20 | 0.45 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.43 |
| ▸ | AKR1C3 | P42330 | 6/20 | 0.42 |
| ▸ | AKR1C2 | P52895 | 6/20 | 0.42 |
| ▸ | CDC42 | P60953 | 1/20 | 0.42 |
| ▸ | RAC1 | P63000 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | SLC22A6 | Q4U2R8 | 1/20 | 0.42 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.41 |
| ▸ | PDE4D | Q08499 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL6140914 | 0.91 | MAPT (0.57) | MAPTALDH1A1TSHRGAAPTGS2 | |
| SCHEMBL5176557 | 0.83 | DRD2 (0.50) | DRD2DRD4MAPTALDH1A1TSHR | |
| SCHEMBL6692180 | 0.82 | DRD2 (0.46) | DRD2DRD4MAPTALDH1A1TSHR | |
| SCHEMBL5779828 | 0.81 | ALDH1A1 (0.47) | DRD2DRD4MAPTALDH1A1TSHR | |
| SCHEMBL5779829 | 0.81 | ALDH1A1 (0.47) | DRD2DRD4MAPTALDH1A1TSHR | |
| SCHEMBL1615697 | 0.80 | DRD2 (0.53) | DRD2DRD4MAPTALDH1A1TSHR | |
| SCHEMBL11574095 | 0.79 | KIF11 (0.52) | MAPTPTGS2PTGS1 | |
| SCHEMBL30857346 | 0.79 | KDM4E (0.47) | MAPTTSHRPTGS2PTGS1KDM4E | |
| SCHEMBL20510027 | 0.77 | ASIC3 (0.46) | DRD2TSHRPTGS2PTGS1AKR1C3 | |
| SCHEMBL6630304 | 0.77 | PNMT (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2003011815-A1 | BICYCLIC HETEROAROMATIC ALANINES | CELLTECH R & D LIMITED (GB) | 2003-02-13 | — | — | WO | disclosed |