Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.50 |
| ▸ | THRB | P10828 | 1/20 | 0.50 |
| ▸ | DNM1 | Q05193 | 7/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.38 |
| ▸ | LMNA | P02545 | 2/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.38 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL8966902 | 0.97 | TSHR (0.44) | TSHRTHRBDNM1ALDH1A1LMNA | |
| SCHEMBL8967149 | 0.87 | ANPEP (0.47) | TSHRTHRBALDH1A1LMNASLC22A1 | |
| Heptane SCHEMBL23091219 | 0.79 | TSHR (0.67) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Hexane SCHEMBL2549000 | 0.75 | TSHR (0.58) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Dodecane SCHEMBL29659403 | 0.75 | TSHR (0.89) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Potassium SCHEMBL31243234 | 0.75 | TSHR (0.89) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Pentadecane SCHEMBL29659340 | 0.75 | TSHR (0.89) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Potassium SCHEMBL30972132 | 0.75 | TSHR (0.89) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Potassium SCHEMBL29659405 | 0.75 | TSHR (0.89) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Potassium SCHEMBL30697370 | 0.75 | TSHR (0.89) | TSHRTHRBDNM1ALDH1A1LMNA |
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-5681978-A | Method for the stereocontrolled synthesis of stegobinone and useful borane intermediates | WASHINGTON STATE UNIVERSITY RESEARCH FOUNDATION (US) | 1997-10-28 | — | — | US | disclosed |