Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.61 |
| ▸ | THRB | P10828 | 1/20 | 0.61 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.56 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.53 |
| ▸ | LMNA | P02545 | 2/20 | 0.53 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.53 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.53 |
| ▸ | MEN1 | O00255 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.53 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.50 |
| ▸ | TP53 | P04637 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.50 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.50 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.50 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Dodecane SCHEMBL6806149 | 1.00 | TSHR (0.61) | TSHRTHRBDNM1SLC22A1LMNA | |
| Octane SCHEMBL7455677 | 1.00 | TSHR (0.61) | TSHRTHRBDNM1SLC22A1LMNA | |
| Hexane SCHEMBL272768 | 0.96 | TSHR (0.54) | TSHRTHRBDNM1SLC22A1LMNA | |
| Decane SCHEMBL28596369 | 0.84 | TSHR (0.73) | TSHRTHRBDNM1SLC22A1LMNA | |
| Octane SCHEMBL639577 | 0.84 | TSHR (0.73) | TSHRTHRBDNM1SLC22A1LMNA | |
| Decane SCHEMBL738409 | 0.84 | TSHR (0.73) | TSHRTHRBDNM1SLC22A1LMNA | |
| Octane SCHEMBL28596371 | 0.84 | TSHR (0.73) | TSHRTHRBDNM1SLC22A1LMNA | |
| Hexadecane SCHEMBL738410 | 0.84 | TSHR (0.73) | TSHRTHRBDNM1SLC22A1LMNA | |
| Dodecane SCHEMBL4314349 | 0.84 | TSHR (0.73) | TSHRTHRBDNM1SLC22A1LMNA | |
| Trimethylammonium SCHEMBL18106783 | 0.84 | TSHR (0.73) | TSHRTHRBDNM1SLC22A1LMNA |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0400435-B1 | Carbonic half-ester of betaine structure | BASF AG (DE) | 1994-04-13 | — | — | EP | disclosed |
| EP-0400435-A2 | Carbonic half-ester of betaine structure | BASF Aktiengesellschaft (DE) | 1990-12-05 | — | — | EP | disclosed |