Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.32 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.32 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.32 |
| ▸ | ATM | Q13315 | 1/20 | 0.30 |
| ▸ | CA12 | O43570 | 1/20 | 0.30 |
| ▸ | CA1 | P00915 | 1/20 | 0.30 |
| ▸ | CA2 | P00918 | 1/20 | 0.30 |
| ▸ | CA9 | Q16790 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL3790659 | 0.81 | TSHR (0.42) | CYP3A4TSHRALDH1A1ADRB2ADRB1 | |
| SCHEMBL22973779 | 0.80 | CA12 (0.36) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL27762399 | 0.79 | ALDH1A1 (0.41) | CYP3A4TSHRALDH1A1ADRB2ADRB1 | |
| Phosphine SCHEMBL28044776 | 0.77 | — | — | |
| SCHEMBL10929730 | 0.75 | ADRB2 (0.36) | CYP3A4TSHRALDH1A1ADRB2ADRB1 | |
| SCHEMBL4728490 | 0.74 | CA1 (0.41) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL251655 | 0.74 | TSHR (0.40) | CYP3A4TSHRALDH1A1ADRB2ADRB1 | |
| SCHEMBL9895429 | 0.72 | THRB (0.38) | TSHRCA12CA1CA2CA9 | |
| SCHEMBL8955296 | 0.72 | THRB (0.44) | TSHRALDH1A1CA12CA1CA2 | |
| SCHEMBL10438599 | 0.72 | THRB (0.44) | TSHRALDH1A1CA12CA1CA2 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105254674-B | Alkyl-dimethyl oxygroup silicic acid phosphine heterocycle methyl compound and preparation method thereof | 苏州科技大学 | 2018-05-18 | — | — | CN | disclosed |
| CN-105254674-A | Alkyl dimethoxy silicic phosphine heterocyclic methyl ester compound and preparing method thereof | USTC UNIV SCIENCE TECH CN | 2016-01-20 | — | — | CN | disclosed |