Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2D6 | P10635 | 2/20 | 0.61 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.51 |
| ▸ | TSHR | P16473 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.51 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.47 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.47 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.47 |
| ▸ | POLB | P06746 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.44 |
| ▸ | TP53 | P04637 | 2/20 | 0.44 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ATM | Q13315 | 1/20 | 0.44 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL361129 | 1.00 | CYP2D6 (0.61) | CYP2D6ALDH1A1CYP3A4TSHRCYP1A2 | |
| SCHEMBL8367865 | 1.00 | CYP2D6 (0.61) | CYP2D6ALDH1A1CYP3A4TSHRCYP1A2 | |
| SCHEMBL8370244 | 1.00 | CYP2D6 (0.61) | CYP2D6ALDH1A1CYP3A4TSHRCYP1A2 | |
| SCHEMBL11107669 | 1.00 | CYP2D6 (0.61) | CYP2D6ALDH1A1CYP3A4TSHRCYP1A2 | |
| SCHEMBL23192021 | 1.00 | CYP2D6 (0.61) | CYP2D6ALDH1A1CYP3A4TSHRCYP1A2 | |
| SCHEMBL22621292 | 1.00 | CYP2D6 (0.61) | CYP2D6ALDH1A1CYP3A4TSHRCYP1A2 | |
| SCHEMBL9060935 | 1.00 | CYP2D6 (0.61) | CYP2D6ALDH1A1CYP3A4TSHRCYP1A2 | |
| SCHEMBL777214 | 0.98 | CYP2D6 (0.63) | CYP2D6ALDH1A1CYP3A4TSHRCYP1A2 | |
| Methyl Alcohol SCHEMBL1553775 | 0.97 | CYP2D6 (0.62) | CYP2D6ALDH1A1CYP3A4TSHRCYP1A2 | |
| SCHEMBL6198029 | 0.95 | CYP2D6 (0.63) | CYP2D6ALDH1A1CYP3A4TSHRCYP1A2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4231174-A2 | METHODS AND SYSTEMS FOR COMPUTATIONAL DECODING OF BIOLOGICAL, CHEMICAL, AND PHYSICAL ENTITIES | Nautilus Subsidiary, Inc. (US) | 2023-08-23 | — | — | EP | disclosed |
| US-20220050049-A1 | METHODS AND SYSTEMS FOR INTEGRATED ON-CHIP SINGLE-MOLECULE DETECTION | NAUTILUS SUBSIDIARY, INC. | 2022-02-17 | — | — | US | disclosed |