Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ENPP2 | Q13822 | 1/20 | 0.62 |
| ▸ | ORAI1 | Q96D31 | 1/20 | 0.52 |
| ▸ | ORAI2 | Q96SN7 | 1/20 | 0.52 |
| ▸ | ORAI3 | Q9BRQ5 | 1/20 | 0.52 |
| ▸ | TRPV6 | Q9H1D0 | 1/20 | 0.52 |
| ▸ | LMNA | P02545 | 1/20 | 0.44 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.44 |
| ▸ | IDO1 | P14902 | 2/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.36 |
| ▸ | CES1 | P23141 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.35 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 2/20 | 0.33 |
| ▸ | CA2 | P00918 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL28166 | 0.77 | ENPP2 (1.00) | ENPP2ORAI1ORAI2ORAI3TRPV6 | |
| SCHEMBL1138482 | 0.77 | TRPV6 (0.80) | ENPP2ORAI1ORAI2ORAI3TRPV6 | |
| SCHEMBL27648777 | 0.74 | ENPP2 (0.94) | ENPP2ORAI1ORAI2ORAI3TRPV6 | |
| SCHEMBL28117303 | 0.74 | ENPP2 (0.94) | ENPP2ORAI1ORAI2ORAI3TRPV6 | |
| SCHEMBL1138563 | 0.72 | ENPP2 (0.62) | ENPP2ORAI1ORAI2ORAI3TRPV6 | |
| SCHEMBL13167946 | 0.70 | ENPP2 (0.73) | ENPP2ORAI1ORAI2ORAI3TRPV6 | |
| SCHEMBL1954438 | 0.70 | ENPP2 (0.84) | ENPP2ORAI1ORAI2ORAI3TRPV6 | |
| SCHEMBL19712647 | 0.70 | ENPP2 (0.59) | ENPP2ORAI1ORAI2ORAI3TRPV6 | |
| SCHEMBL1017379 | 0.69 | ENPP2 (0.58) | ENPP2ORAI1ORAI2ORAI3TRPV6 | |
| 1,4-Dichlorobenzene SCHEMBL28013810 | 0.67 | LMNA (0.80) | ENPP2LMNACYP2A6IDO1CES2 |
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-3002282-A1 | HETERO RING COMPOUND AND ORGANIC LIGHT EMITTING DIODE COMPRISING SAME | LG Chem, Ltd. (KR) | 2016-04-06 | — | — | EP | disclosed |