Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CASP1 | P29466 | 2/20 | 0.32 |
| ▸ | APP | P05067 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.31 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.31 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.31 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.31 |
| ▸ | THRB | P10828 | 2/20 | 0.31 |
| ▸ | PKM | P14618 | 2/20 | 0.31 |
| ▸ | RECQL | P46063 | 2/20 | 0.31 |
| ▸ | CYP19A1 | P11511 | 2/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | USP2 | O75604 | 1/20 | 0.31 |
| ▸ | POLB | P06746 | 1/20 | 0.31 |
| ▸ | MAPT | P10636 | 1/20 | 0.31 |
| ▸ | APEX1 | P27695 | 1/20 | 0.31 |
| ▸ | BLM | P54132 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.31 |
| ▸ | HTR6 | P50406 | 1/20 | 0.31 |
| ▸ | HPGD | P15428 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL18059380 | 0.83 | CASP1 (0.37) | CASP1APPALDH1A1TDP1RECQL | |
| SCHEMBL23992578 | 0.80 | ALDH1A1 (0.45) | CASP1APPALDH1A1TDP1CYP3A4 | |
| SCHEMBL16130316 | 0.80 | TDP1 (0.45) | ALDH1A1TDP1CYP3A4ALOX15THRB | |
| SCHEMBL3480852 | 0.78 | CASP1 (0.37) | CASP1ALDH1A1TDP1CYP3A4ALOX15 | |
| SCHEMBL23863464 | 0.76 | ALDH1A1 (0.45) | CASP1ALDH1A1CYP3A4ALOX15THRB | |
| SCHEMBL454407 | 0.74 | CASP1 (0.39) | CASP1ALDH1A1TDP1CYP3A4ALOX15 | |
| SCHEMBL454405 | 0.74 | CASP1 (0.39) | CASP1ALDH1A1TDP1CYP3A4ALOX15 | |
| SCHEMBL6344325 | 0.74 | CYP3A4 (0.39) | CASP1ALDH1A1TDP1CYP3A4ALOX15 | |
| SCHEMBL10203130 | 0.74 | CYP3A4 (0.39) | CASP1ALDH1A1TDP1CYP3A4ALOX15 | |
| SCHEMBL1374281 | 0.74 | CYP3A4 (0.39) | CASP1ALDH1A1TDP1CYP3A4ALOX15 |
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-3514163-A1 | ORGANOMETALLIC COMPOUND, ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME, AND DIAGNOSTIC COMPOSITION INCLUDING THE ORGANOMETALLIC COMPOUND | Samsung Electronics Co., Ltd. (KR) | 2019-07-24 | — | — | EP | disclosed |