Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 3/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.44 |
| ▸ | HPGD | P15428 | 4/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.44 |
| ▸ | MAPT | P10636 | 5/20 | 0.41 |
| ▸ | HTT | P42858 | 3/20 | 0.41 |
| ▸ | NPSR1 | Q6W5P4 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
| ▸ | POLB | P06746 | 2/20 | 0.41 |
| ▸ | PTGER4 | P35408 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL1525859 | 0.88 | ALDH1A1 (0.55) | CYP2A6KDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL24764214 | 0.78 | CYP2A6 (0.45) | CYP2A6KDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL3945216 | 0.75 | GRIA1 (0.53) | CYP2A6LMNAPTGER4 | |
| SCHEMBL31711447 | 0.75 | CYP2A6 (0.53) | CYP2A6KDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL2713434 | 0.75 | CYP2A6 (0.53) | CYP2A6KDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL327664 | 0.75 | CYP2A6 (0.53) | CYP2A6KDM4EALDH1A1HSD17B10HPGD | |
| SCHEMBL21038794 | 0.73 | CYP2A6 (0.61) | CYP2A6KDM4EALDH1A1HPGDMAPT | |
| SCHEMBL5792305 | 0.72 | MAPT (0.56) | KDM4EALDH1A1HSD17B10MAPTHTT | |
| SCHEMBL14732490 | 0.72 | CYP2A6 (0.46) | CYP2A6KDM4EALDH1A1PTGER4MEN1 | |
| SCHEMBL5792577 | 0.71 | POLB (0.35) | CYP2A6ALDH1A1LMNAPOLB |
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 |
|---|---|---|---|---|---|---|---|
| US-20170101522-A1 | Oxygen Barrier Plastic Material | CLARIANT INTERNATIONAL LTD. (CH) | 2017-04-13 | — | — | US | disclosed |