Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.61 |
| ▸ | LMNA | P02545 | 1/20 | 0.57 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.57 |
| ▸ | AHR | P35869 | 2/20 | 0.52 |
| ▸ | ALOX5 | P09917 | 1/20 | 0.48 |
| ▸ | KIF11 | P52732 | 1/20 | 0.46 |
| ▸ | MAOB | P27338 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | CES1 | P23141 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | TSHR | P16473 | 2/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | THRB | P10828 | 1/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | ALAD | P13716 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL11165087 | 0.89 | CYP1A2 (0.73) | CYP1A2LMNACYP2A6AHRALOX5 | |
| 1,4-Dichlorobenzene SCHEMBL29137104 | 0.89 | LMNA (0.73) | CYP1A2LMNACYP2A6ALDH1A1CES2 | |
| SCHEMBL3952742 | 0.89 | CYP1A2 (0.73) | CYP1A2LMNACYP2A6AHRALOX5 | |
| SCHEMBL28215 | 0.89 | CYP1A2 (0.73) | CYP1A2LMNACYP2A6AHRALOX5 | |
| SCHEMBL25437316 | 0.85 | CYP1A2 (0.69) | CYP1A2LMNACYP2A6AHRALOX5 | |
| Hydrogen Sulfide SCHEMBL10394839 | 0.85 | CYP1A2 (0.69) | CYP1A2LMNACYP2A6AHRALOX5 | |
| Ethyne SCHEMBL29216096 | 0.81 | CYP1A2 (0.65) | CYP1A2LMNACYP2A6AHRALOX5 | |
| SCHEMBL4396347 | 0.80 | CYP1A2 (0.55) | CYP1A2LMNACYP2A6AHRALOX5 | |
| SCHEMBL28633720 | 0.80 | TAAR1 (0.59) | CYP1A2ALOX5MAOB | |
| SCHEMBL9160072 | 0.79 | AHR (0.68) | CYP1A2LMNACYP2A6AHRALOX5 |
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 |
|---|---|---|---|---|---|---|---|
| CN-113454062-A | Crystal Composition (CC) comprising 4, 4' -dichlorodiphenylsulfoxide crystals (C) | 巴斯夫欧洲公司 | 2021-09-28 | — | — | CN | disclosed |