Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.57 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
| ▸ | HTT | P42858 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | MAPT | P10636 | 1/20 | 0.44 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.43 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.43 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | HPGD | P15428 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.37 |
| ▸ | CES1 | P23141 | 1/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL439119 | 0.87 | TSHR (0.71) | TSHRCYP3A4MEN1THRBHTT | |
| SCHEMBL28748446 | 0.87 | TSHR (0.71) | TSHRCYP3A4MEN1THRBHTT | |
| SCHEMBL15167 | 0.87 | — | — | |
| SCHEMBL8600029 | 0.87 | TSHR (0.71) | TSHRCYP3A4MEN1THRBHTT | |
| Chloromethane SCHEMBL7644593 | 0.84 | THRB (0.59) | TSHRCYP3A4MEN1THRBHTT | |
| Methylene Chloride SCHEMBL6818978 | 0.84 | TSHR (0.60) | TSHRCYP3A4MEN1THRBHTT | |
| SCHEMBL5462834 | 0.83 | TSHR (0.67) | TSHRCYP3A4MEN1THRBHTT | |
| SCHEMBL4324369 | 0.83 | TSHR (0.67) | TSHRCYP3A4MEN1THRBHTT | |
| SCHEMBL2550234 | 0.83 | TSHR (0.67) | TSHRCYP3A4MEN1THRBHTT | |
| SCHEMBL5454955 | 0.83 | TSHR (0.67) | TSHRCYP3A4MEN1THRBHTT |
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-107304160-A | A kind of biomass alcohol ether and preparation method thereof and drilling fluid | 中石化石油工程技术服务有限公司 | 2017-10-31 | — | — | CN | disclosed |