Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.52 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.44 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | THRB | P10828 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | ADRB2 | P07550 | 1/20 | 0.39 |
| ▸ | ADRB1 | P08588 | 1/20 | 0.39 |
| ▸ | ADRB3 | P13945 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 1/20 | 0.38 |
| ▸ | CES2 | O00748 | 2/20 | 0.34 |
| ▸ | CES1 | P23141 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.32 |
| ▸ | LMNA | P02545 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL1476917 | 0.84 | TSHR (0.43) | TSHRCYP3A4MEN1THRBHTT | |
| SCHEMBL9849839 | 0.83 | TSHR (0.52) | TSHRCYP3A4MEN1THRBHTT | |
| SCHEMBL27338598 | 0.82 | HSD17B10 (0.36) | TSHR | |
| Hexane SCHEMBL7875362 | 0.82 | TSHR (0.47) | TSHRMEN1THRBKMT2ASMN1; SMN2 | |
| SCHEMBL8600029 | 0.82 | TSHR (0.71) | TSHRCYP3A4MEN1THRBHTT | |
| SCHEMBL439119 | 0.82 | TSHR (0.71) | TSHRCYP3A4MEN1THRBHTT | |
| SCHEMBL15167 | 0.82 | — | — | |
| SCHEMBL28748446 | 0.82 | TSHR (0.71) | TSHRCYP3A4MEN1THRBHTT | |
| Tert-Butanol SCHEMBL6818802 | 0.80 | TSHR (0.62) | TSHRCYP3A4MEN1THRBHTT | |
| SCHEMBL27855475 | 0.80 | TSHR (0.62) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3472103-A1 | LAYERED DOUBLE HYDROXIDES | SCG Chemicals Co., Ltd. (TH) | 2019-04-24 | — | — | EP | disclosed |
| CN-101899062-B | Synthesis technology of alpha-chiral boric acid and boric acid ester | SHANGHAI VIWIT PHARMACEUTICAL CO LTD | 2015-04-15 | — | — | CN | disclosed |
| CN-101899062-A | Synthesis technology of alpha-chiral boric acid and boric acid ester | VIWIT PHARMACEUTICAL CO LTD | 2010-12-01 | — | — | CN | disclosed |