Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | SIGMAR1 | Q99720 | 3/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | HTR1A | P08908 | 2/20 | 0.37 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.35 |
| ▸ | MAOA | P21397 | 1/20 | 0.35 |
| ▸ | MAOB | P27338 | 1/20 | 0.35 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.35 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.35 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.35 |
| ▸ | DRD4 | P21917 | 1/20 | 0.35 |
| ▸ | ATM | Q13315 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL14917364 | 0.85 | TSHR (0.52) | TSHRSIGMAR1ALDH1A1KMT2AMEN1 | |
| Butane SCHEMBL2150151 | 0.80 | TSHR (0.63) | TSHRSIGMAR1ALDH1A1KMT2AMEN1 | |
| Butane SCHEMBL8909318 | 0.75 | TSHR (0.72) | TSHRSIGMAR1ALDH1A1KMT2AMEN1 | |
| Octane SCHEMBL4861483 | 0.74 | TSHR (0.55) | TSHRSIGMAR1ALDH1A1KMT2AMEN1 | |
| Propylamine SCHEMBL6559405 | 0.74 | TSHR (0.55) | TSHRSIGMAR1ALDH1A1KMT2AMEN1 | |
| SCHEMBL6525818 | 0.73 | TSHR (0.48) | TSHRSIGMAR1ALDH1A1CYP2A6MAOA | |
| Alcohol SCHEMBL1872106 | 0.73 | TSHR (0.60) | TSHRALDH1A1KMT2AMEN1CYP2A6 | |
| Cycloheptane SCHEMBL28134106 | 0.72 | TSHR (0.80) | TSHRALDH1A1 | |
| Benzene SCHEMBL5685386 | 0.72 | TSHR (0.80) | TSHRALDH1A1 | |
| SCHEMBL451157 | 0.72 | TSHR (0.86) | TSHRCYP2A6MAOAMAOBDRD4 |
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-5481053-A | DIMERIZING ALPHA-METHYLSTYRENE USING ACTIVATED CLAY OR ACID CLAY AS CATALYST IN PRESENCE OF DI-LOWER-ALKYL CARBONATE OR ALKYLENE CARBONATE | MITSUBISHI CHEMICAL CORPORATION (JP) | 1996-01-02 | — | — | US | disclosed |