Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.58 |
| ▸ | THRB | P10828 | 1/20 | 0.58 |
| ▸ | LMNA | P02545 | 3/20 | 0.50 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.44 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.44 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.44 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 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 | |
|---|---|---|---|---|
| Heptane SCHEMBL20637816 | 0.96 | TSHR (0.67) | TSHRTHRBLMNASLC22A1DNM1 | |
| Hexane SCHEMBL814120 | 0.92 | TSHR (0.50) | TSHRTHRBLMNASLC22A1SLC22A2 | |
| Hexane SCHEMBL4362182 | 0.92 | TSHR (0.50) | TSHRTHRBLMNASLC22A1SLC22A2 | |
| 1-Pentanol SCHEMBL3681343 | 0.83 | SMN1; SMN2 (0.75) | TSHRTHRBLMNASMN1; SMN2DNM1 | |
| SCHEMBL21084464 | 0.83 | DNM1 (0.71) | TSHRTHRBLMNADNM1ALDH1A1 | |
| Octane SCHEMBL28588180 | 0.81 | TSHR (0.57) | TSHRTHRBLMNASLC22A1SMN1; SMN2 | |
| Octane SCHEMBL21693642 | 0.81 | TSHR (0.57) | TSHRTHRBLMNASMN1; SMN2DNM1 | |
| Hexane SCHEMBL20877591 | 0.80 | — | — | |
| Hexane SCHEMBL11650566 | 0.80 | TSHR (0.88) | TSHRTHRBLMNASLC22A1SLC22A2 | |
| Hexane SCHEMBL8705498 | 0.80 | TSHR (0.88) | TSHRTHRBLMNASLC22A1SLC22A2 |
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-108483397-B | Method for synthesizing cyclic boron-nitrogen-hydrogen compound aminodiborane by one-pot method | 河南师范大学 | 2021-02-12 | — | — | CN | disclosed |