Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.44 |
| ▸ | POLB | P06746 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL1684411 | 0.87 | ALDH1A1 (0.48) | ALDH1A1TDP1CYP3A4POLBMAPT | |
| SCHEMBL16744720 | 0.86 | KDM4E (0.46) | KDM4EALDH1A1TDP1CYP3A4POLB | |
| SCHEMBL14220842 | 0.84 | KDM4E (0.49) | KDM4EALDH1A1TDP1CYP3A4POLB | |
| SCHEMBL19212051 | 0.83 | ALDH1A1 (0.44) | ALDH1A1TDP1CYP3A4POLBTSHR | |
| SCHEMBL6665984 | 0.83 | TSHR (0.53) | ALDH1A1TDP1CYP3A4POLBMAPT | |
| SCHEMBL15835003 | 0.82 | POLB (0.52) | KDM4EALDH1A1TDP1CYP3A4POLB | |
| SCHEMBL395679 | 0.82 | CYP1A2 (0.60) | KDM4EALDH1A1TDP1CYP3A4POLB | |
| SCHEMBL16953932 | 0.81 | ALDH1A1 (0.58) | KDM4EALDH1A1TDP1CYP3A4POLB | |
| SCHEMBL3379806 | 0.80 | CYP1A2 (0.45) | ALDH1A1TDP1CYP3A4POLBTSHR | |
| SCHEMBL30468473 | 0.80 | CYP1A2 (0.45) | ALDH1A1TDP1CYP3A4POLBTSHR |
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-2013096151-A1 | CHEMICAL COMPOUNDS | GLAXOSMITHKLINE LLC (US) | 2013-06-27 | — | — | WO | disclosed |