Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.47 |
| ▸ | CYP2A6 | P11509 | 3/20 | 0.47 |
| ▸ | DNMT1 | P26358 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.41 |
| ▸ | HSD11B1 | P28845 | 1/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.39 |
| ▸ | DHFR | P00374 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | HPGD | P15428 | 2/20 | 0.37 |
| ▸ | MEN1 | O00255 | 2/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | RXFP1 | Q9HBX9 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL29674891 | 0.84 | CYP2A6 (0.48) | TSHRCYP1A2CYP2A6DNMT1ALDH1A1 | |
| SCHEMBL13966913 | 0.84 | CYP2A6 (0.48) | TSHRCYP1A2CYP2A6DNMT1ALDH1A1 | |
| SCHEMBL13839779 | 0.83 | TSHR (0.52) | TSHRCYP1A2CYP2A6DNMT1ALDH1A1 | |
| SCHEMBL18907361 | 0.82 | DNMT1 (0.44) | TSHRCYP1A2CYP2A6DNMT1ALDH1A1 | |
| SCHEMBL7915042 | 0.81 | DHFR (0.54) | TSHRCYP1A2CYP2A6DNMT1ALDH1A1 | |
| SCHEMBL16882425 | 0.79 | TSHR (0.63) | TSHRCYP1A2CYP2A6DNMT1ALDH1A1 | |
| SCHEMBL19544023 | 0.79 | POLB (0.53) | CYP1A2DNMT1ALDH1A1MAPTDHFR | |
| SCHEMBL19543869 | 0.78 | DNMT1 (0.41) | TSHRCYP1A2CYP2A6DNMT1ALDH1A1 | |
| SCHEMBL29352216 | 0.78 | TSHR (0.65) | TSHRCYP1A2CYP2A6DNMT1ALDH1A1 | |
| SCHEMBL2951616 | 0.78 | TSHR (0.65) | TSHRCYP1A2CYP2A6DNMT1ALDH1A1 |
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-3326998-B1 | COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT COMPRISING THE SAME, AND ELECTRONIC DEVICE THEREOF | DUK SAN NEOLUX CO LTD (KR) | 2020-12-02 | — | — | EP | disclosed |