Predicted protein targets (top 10)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 4/20 | 0.57 |
| ▸ | THRB | P10828 | 1/20 | 0.57 |
| ▸ | DNM1 | Q05193 | 7/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MEN1 | O00255 | 2/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | SLC22A1 | O15245 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
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 SCHEMBL6575954 | 1.00 | TSHR (0.57) | TSHRTHRBDNM1ALDH1A1LMNA | |
| SCHEMBL15063 | 1.00 | TSHR (0.57) | TSHRTHRBDNM1ALDH1A1LMNA | |
| SCHEMBL9350922 | 1.00 | TSHR (0.57) | TSHRTHRBDNM1ALDH1A1LMNA | |
| SCHEMBL4609543 | 1.00 | TSHR (0.57) | TSHRTHRBDNM1ALDH1A1LMNA | |
| SCHEMBL80948 | 1.00 | TSHR (0.57) | TSHRTHRBDNM1ALDH1A1LMNA | |
| Hexane SCHEMBL1047425 | 1.00 | TSHR (0.57) | TSHRTHRBDNM1ALDH1A1LMNA | |
| SCHEMBL23040209 | 1.00 | TSHR (0.57) | TSHRTHRBDNM1ALDH1A1LMNA | |
| SCHEMBL149096 | 1.00 | TSHR (0.57) | TSHRTHRBDNM1ALDH1A1LMNA | |
| SCHEMBL6292836 | 1.00 | TSHR (0.57) | TSHRTHRBDNM1ALDH1A1LMNA | |
| SCHEMBL14784986 | 1.00 | TSHR (0.57) | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0382072-B1 | NICKEL CATALYZED DISPLACEMENT REACTION | ETHYL CORPORATION (US) | 1993-08-04 | — | — | EP | disclosed |
| EP-0382072-A1 | Nickel catalyzed displacement reaction | ETHYL CORPORATION (US) | 1990-08-16 | — | — | EP | disclosed |
| US-4918254-A | ADDING CATALYST POISON AT EQUILIBRIUM PREVENTS SIDE REACTIONS | ETHYL CORPORATION (US) | 1990-04-17 | — | — | US | disclosed |