Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SPHK2 | Q9NRA0 | 1/20 | 0.45 |
| ▸ | SPHK1 | Q9NYA1 | 1/20 | 0.45 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | FAAH | O00519 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | SOAT1 | P35610 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 3/20 | 0.38 |
| ▸ | CES1 | P23141 | 3/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.38 |
| ▸ | GPR84 | Q9NQS5 | 7/20 | 0.37 |
| ▸ | PPARG | P37231 | 7/20 | 0.37 |
| ▸ | PPARD | Q03181 | 7/20 | 0.37 |
| ▸ | PPARA | Q07869 | 7/20 | 0.37 |
| ▸ | HDAC11 | Q96DB2 | 5/20 | 0.37 |
| ▸ | TSHR | P16473 | 4/20 | 0.37 |
| ▸ | PTPN1 | P18031 | 3/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL22986847 | 0.78 | SPHK2 (0.43) | SPHK2SPHK1MEN1KMT2ACES2 | |
| SCHEMBL18874463 | 0.78 | CES2 (0.44) | MEN1KMT2AFAAHCES2CES1 | |
| SCHEMBL20925013 | 0.78 | CES2 (0.44) | MEN1KMT2AFAAHCES2CES1 | |
| SCHEMBL18885205 | 0.78 | CES2 (0.44) | MEN1KMT2AFAAHCES2CES1 | |
| SCHEMBL25969407 | 0.76 | LMNA (0.36) | MEN1KMT2AFAAHCES2CES1 | |
| Iodide SCHEMBL10431384 | 0.76 | CES2 (0.42) | MEN1KMT2AFAAHCES2CES1 | |
| SCHEMBL18665142 | 0.75 | ALDH1A1 (0.42) | MEN1KMT2ACES2CES1GPR84 | |
| SCHEMBL24211068 | 0.74 | CES2 (0.41) | SPHK2SPHK1MEN1KMT2ACES2 | |
| SCHEMBL22487902 | 0.73 | CES1 (0.33) | MEN1KMT2AFAAHCYP1A2CES2 | |
| SCHEMBL22304537 | 0.72 | DNM1 (0.41) | MEN1KMT2ACES2CES1GPR84 |
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-3305764-B1 | DOUBLE SPIRO ORGANIC COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME | LG CHEMICAL LTD (KR) | 2019-09-25 | — | — | EP | disclosed |