Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERBB2 | P04626 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | FYN | P06241 | 1/20 | 0.47 |
| ▸ | MAOA | P21397 | 1/20 | 0.47 |
| ▸ | ACHE | P22303 | 1/20 | 0.47 |
| ▸ | AHR | P35869 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 6/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.41 |
| ▸ | CASP1 | P29466 | 3/20 | 0.41 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.41 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.41 |
| ▸ | CASP7 | P55210 | 2/20 | 0.41 |
| ▸ | HBB | P68871 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | PLAU | P00749 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.39 |
| ▸ | HPRT1 | P00492 | 1/20 | 0.37 |
| ▸ | NQO2 | P16083 | 2/20 | 0.37 |
| ▸ | CTDSP1 | Q9GZU7 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL4651697 | 0.79 | ALDH1A1 (0.49) | ERBB2CYP1A2FYNMAOAACHE | |
| SCHEMBL28155411 | 0.75 | CDK4 (0.38) | ERBB2CYP1A2FYNMAOAACHE | |
| SCHEMBL20407332 | 0.74 | ALDH1A1 (0.58) | ERBB2CYP1A2FYNMAOAACHE | |
| SCHEMBL14742580 | 0.72 | PLAU (0.55) | ERBB2CYP1A2FYNMAOAACHE | |
| SCHEMBL1527441 | 0.72 | ALDH1A1 (0.65) | ERBB2CYP1A2FYNMAOAACHE | |
| SCHEMBL28682862 | 0.71 | CYP1A2 (0.66) | ERBB2CYP1A2FYNMAOAACHE | |
| SCHEMBL25785683 | 0.71 | ALDH1A1 (0.44) | CYP1A2ALDH1A1HSD17B10CYP3A4CASP1 | |
| SCHEMBL2325454 | 0.70 | ALDH1A1 (0.53) | ERBB2CYP1A2FYNMAOAACHE | |
| SCHEMBL6426697 | 0.70 | HPRT1 (0.64) | ERBB2CYP1A2FYNMAOAACHE | |
| SCHEMBL6138724 | 0.70 | HPRT1 (0.64) | ERBB2CYP1A2FYNMAOAACHE |
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-10240084-B2 | Non-crystallizable pi-conjugated molecular glass mixtures, charge transporting molecular glass mixtures, luminescent molecular glass mixtures, or combinations thereof for organic light emitting diodes and other organic electronics and photonics applications | MOLECULAR GLASSES, INC. (US) | 2019-03-26 | — | — | US | disclosed |