Predicted protein targets (top 9)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 6/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.32 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.30 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.30 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.30 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.30 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL24061909 | 0.87 | SIGMAR1 (0.43) | SIGMAR1L3MBTL1CYP1A2CYP3A4CYP2D6 | |
| SCHEMBL10123831 | 0.85 | SIGMAR1 (0.34) | SIGMAR1 | |
| SCHEMBL19310330 | 0.82 | SIGMAR1 (0.43) | SIGMAR1ALDH1A1KMT2AL3MBTL1CYP1A2 | |
| SCHEMBL19443827 | 0.78 | MEN1 (0.32) | KMT2A | |
| SCHEMBL16500917 | 0.78 | SIGMAR1 (0.51) | SIGMAR1ALDH1A1KMT2AL3MBTL1CYP1A2 | |
| SCHEMBL18801431 | 0.77 | ALOX5 (0.34) | — | |
| SCHEMBL12462299 | 0.76 | TRPM8 (0.34) | — | |
| SCHEMBL4570421 | 0.74 | SIGMAR1 (0.40) | SIGMAR1ALDH1A1KMT2AL3MBTL1CYP3A4 | |
| SCHEMBL14079580 | 0.73 | SIGMAR1 (0.38) | SIGMAR1ALDH1A1KMT2ACYP1A2CYP3A4 | |
| SCHEMBL21168402 | 0.73 | SIGMAR1 (0.44) | SIGMAR1ALDH1A1KMT2AL3MBTL1CYP1A2 |
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-3296293-A2 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME | LG Chem, Ltd. (KR) | 2018-03-21 | — | — | EP | disclosed |