Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 5/20 | 0.88 |
| ▸ | THRB | P10828 | 1/20 | 0.88 |
| ▸ | LMNA | P02545 | 3/20 | 0.75 |
| ▸ | SLC22A1 | O15245 | 3/20 | 0.58 |
| ▸ | SLC22A2 | O15244 | 1/20 | 0.58 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.58 |
| ▸ | DNM1 | Q05193 | 5/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.54 |
| ▸ | MEN1 | O00255 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.54 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.54 |
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 | |
|---|---|---|---|---|
| Hexane SCHEMBL9557662 | 1.00 | TSHR (0.88) | TSHRTHRBLMNASLC22A1SLC22A2 | |
| Hexane SCHEMBL357364 | 1.00 | TSHR (0.88) | TSHRTHRBLMNASLC22A1SLC22A2 | |
| Hexane SCHEMBL5017645 | 1.00 | TSHR (0.88) | TSHRTHRBLMNASLC22A1SLC22A2 | |
| Hexane SCHEMBL11650566 | 1.00 | TSHR (0.88) | TSHRTHRBLMNASLC22A1SLC22A2 | |
| Hexane SCHEMBL399 | 1.00 | — | — | |
| Hexane SCHEMBL8151140 | 1.00 | TSHR (0.88) | TSHRTHRBLMNASLC22A1SLC22A2 | |
| Hexane SCHEMBL9859565 | 1.00 | TSHR (0.88) | TSHRTHRBLMNASLC22A1SLC22A2 | |
| Tetradecane SCHEMBL25387874 | 0.94 | TSHR (1.00) | TSHRTHRBLMNASLC22A1DNM1 | |
| Decane SCHEMBL23499900 | 0.94 | TSHR (1.00) | TSHRTHRBLMNASLC22A1DNM1 | |
| Hexane SCHEMBL23175213 | 0.94 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100378054-C | Preparation method of 3, 3-dimethylbutyraldehyde | NUTRASWEET CO (US) | 2008-04-02 | — | — | CN | disclosed |
| US-5834571-A | PROVIDING AT LEAST ONE LIQUID IN POLYMERIZATION ZONE | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1998-11-10 | — | — | US | disclosed |
| US-4977291-A | CATALYTIC HYDROGENATION OF CORRESPONDING AROMATIC CONTAINING COMPOUND | ISTITUTO GUIDO DONEGANI S.P.A. (IT) | 1990-12-11 | — | — | US | disclosed |
| US-4405769-A | TRANSITION METAL AND METALLIC HALIDE COMPOUND WITH PRECIPITATING HALIDE COMPOUND | CAPSHEW CHARLES E (US) | 1983-09-20 | — | — | US | disclosed |