Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | TSHR | P16473 | 2/20 | 0.53 |
| ▸ | MAPT | P10636 | 2/20 | 0.53 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.53 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.53 |
| ▸ | GBA1 | P04062 | 6/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.51 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.51 |
| ▸ | CLK4 | Q9HAZ1 | 2/20 | 0.51 |
| ▸ | PSD | A5PKW4 | 1/20 | 0.47 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CFTR | P13569 | 3/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL20042686 | 0.85 | ACP1 (0.51) | ALDH1A1LMNATSHRMAPTUSP2 | |
| SCHEMBL29710079 | 0.74 | ALDH1A1 (0.55) | ALDH1A1LMNATSHRMAPTUSP2 | |
| SCHEMBL20608463 | 0.74 | ALDH1A1 (0.55) | ALDH1A1LMNATSHRMAPTUSP2 | |
| SCHEMBL20042814 | 0.72 | CFTR (0.52) | ALDH1A1LMNATSHRMAPTUSP2 | |
| SCHEMBL3721995 | 0.72 | MTOR (0.70) | PIK3CAMTOR | |
| SCHEMBL20042825 | 0.70 | GBA1 (0.61) | ALDH1A1LMNATSHRMAPTUSP2 | |
| SCHEMBL14070574 | 0.69 | ALDH1A1 (0.57) | ALDH1A1LMNATSHRMAPTUSP2 | |
| SCHEMBL16184048 | 0.68 | LMNA (0.67) | ALDH1A1LMNATSHRMAPTUSP2 | |
| SCHEMBL31614818 | 0.68 | NPY5R (0.39) | MAPK1HSD17B10PSDSMN1; SMN2MTOR | |
| SCHEMBL20042683 | 0.68 | NPY5R (0.39) | MAPK1HSD17B10PSDSMN1; SMN2MTOR |
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-2018066718-A1 | THERAPEUTIC COMPOUNDS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2018-04-12 | — | — | WO | disclosed |