Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | AHR | P35869 | 3/20 | 0.46 |
| ▸ | KIF11 | P52732 | 8/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.40 |
| ▸ | MEN1 | O00255 | 3/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | HPGD | P15428 | 3/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.39 |
| ▸ | GPR3 | P46089 | 1/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.39 |
| ▸ | ALPI | P09923 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | CASP3 | P42574 | 1/20 | 0.39 |
| ▸ | RECQL | P46063 | 1/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | CASP7 | P55210 | 1/20 | 0.39 |
| ▸ | CASP6 | P55212 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL19636062 | 0.85 | AHR (0.52) | CYP1A2AHRKIF11ALDH1A1KDM4E | |
| SCHEMBL29819907 | 0.85 | CYP1A2 (0.60) | CYP1A2AHRKIF11ALDH1A1KDM4E | |
| SCHEMBL29986934 | 0.85 | CYP1A2 (0.60) | CYP1A2AHRKIF11ALDH1A1KDM4E | |
| SCHEMBL14822627 | 0.85 | CYP1A2 (0.60) | CYP1A2AHRKIF11ALDH1A1KDM4E | |
| SCHEMBL16999816 | 0.84 | CYP1A2 (0.59) | CYP1A2AHRKIF11ALDH1A1KDM4E | |
| SCHEMBL18666144 | 0.80 | AHR (0.49) | CYP1A2AHRKIF11ALDH1A1KDM4E | |
| SCHEMBL19831838 | 0.80 | AHR (0.56) | AHRKIF11ALDH1A1KDM4EMEN1 | |
| SCHEMBL17381086 | 0.79 | AHR (0.64) | CYP1A2AHRKIF11ALDH1A1KDM4E | |
| SCHEMBL29519982 | 0.79 | AHR (0.64) | CYP1A2AHRKIF11ALDH1A1KDM4E | |
| SCHEMBL29890056 | 0.79 | AHR (0.64) | CYP1A2AHRKIF11ALDH1A1KDM4E |
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-3617202-A1 | HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE | Samsung Electronics Co., Ltd. (KR) | 2020-03-04 | — | — | EP | disclosed |