Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.34 |
| ▸ | TP53 | P04637 | 2/20 | 0.33 |
| ▸ | MAPT | P10636 | 2/20 | 0.33 |
| ▸ | THRB | P10828 | 2/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | GLA | P06280 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
| ▸ | CASP1 | P29466 | 1/20 | 0.31 |
| ▸ | CASP7 | P55210 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL31037 | 0.88 | CYP2A6 (0.39) | ALDH1A1CYP2A6CYP2A13TSHRKDM4E | |
| SCHEMBL26545164 | 0.88 | CYP2A6 (0.39) | ALDH1A1CYP2A6CYP2A13TSHRKDM4E | |
| SCHEMBL21891623 | 0.88 | CYP2A6 (0.39) | ALDH1A1CYP2A6CYP2A13TSHRKDM4E | |
| SCHEMBL18269911 | 0.86 | ALDH1A1 (0.38) | ALDH1A1CYP2A6CYP2A13TSHRKDM4E | |
| SCHEMBL21096538 | 0.75 | CYP2A6 (0.33) | ALDH1A1CYP2A6CYP2A13TSHR | |
| SCHEMBL12433446 | 0.74 | CYP2A6 (0.35) | ALDH1A1CYP2A6CYP2A13TSHRKDM4E | |
| SCHEMBL14525633 | 0.74 | ALDH1A1 (0.42) | ALDH1A1CYP2A6CYP2A13TSHRKDM4E | |
| SCHEMBL19221798 | 0.72 | TRPV1 (0.36) | ALDH1A1CYP2A6CYP2A13TSHRMAPT | |
| SCHEMBL14582425 | 0.71 | HTR2A (0.35) | ALDH1A1CYP2A6CYP2A13TSHR | |
| SCHEMBL13218790 | 0.71 | ALDH1A1 (0.36) | ALDH1A1CYP2A6CYP2A13TSHRKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-3839008-B1 | LIQUID CRYSTAL MEDIUM | MERCK PATENT GMBH (DE) | 2023-07-26 | — | — | EP | disclosed |