Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HTR2A | P28223 | 1/20 | 0.49 |
| ▸ | HTR2C | P28335 | 1/20 | 0.49 |
| ▸ | PDK2 | Q15119 | 1/20 | 0.46 |
| ▸ | ACHE | P22303 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.40 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.40 |
| ▸ | THRB | P10828 | 2/20 | 0.40 |
| ▸ | TP53 | P04637 | 1/20 | 0.40 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.40 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 1/20 | 0.40 |
| ▸ | CA2 | P00918 | 1/20 | 0.40 |
| ▸ | CA4 | P22748 | 1/20 | 0.40 |
| ▸ | CA7 | P43166 | 1/20 | 0.40 |
| ▸ | CA9 | Q16790 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL19085025 | 0.89 | PDK2 (0.61) | HTR2AHTR2CPDK2ACHEKDM4E | |
| SCHEMBL19292554 | 0.87 | HTR2A (0.42) | HTR2AHTR2CPDK2ACHEKDM4E | |
| SCHEMBL19421338 | 0.84 | KMT2A (0.55) | HTR2AHTR2CPDK2ACHEKDM4E | |
| SCHEMBL27335653 | 0.84 | HTR2A (0.40) | HTR2AHTR2CPDK2KDM4EALDH1A1 | |
| SCHEMBL25012687 | 0.82 | ALDH1A1 (0.45) | HTR2AHTR2CPDK2ACHEKDM4E | |
| SCHEMBL19141370 | 0.82 | HTR2A (0.39) | HTR2AHTR2CPDK2KDM4EALDH1A1 | |
| SCHEMBL20779079 | 0.82 | PDK2 (0.46) | HTR2AHTR2CPDK2 | |
| SCHEMBL22373909 | 0.82 | HTR2A (0.39) | HTR2AHTR2CPDK2ACHEKDM4E | |
| SCHEMBL17589591 | 0.82 | ALDH1A1 (0.47) | HTR2AHTR2CPDK2ALDH1A1CASP3 | |
| SCHEMBL23626050 | 0.82 | HTR2A (0.39) | HTR2AHTR2CPDK2KDM4EALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| US-9831042-B2 | Organic dyes comprising a hydrazone moiety and their use in dye-sensitized solar cells | BASF SE (DE) | 2017-11-28 | — | — | US | disclosed |