Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | DNM1 | Q05193 | 3/20 | 0.30 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL9689299 | 0.81 | — | — | |
| Hexane SCHEMBL232226 | 0.63 | — | — | |
| Pentane SCHEMBL15174016 | 0.63 | — | — | |
| Hexane SCHEMBL28068650 | 0.63 | TSHR (0.54) | TSHRLMNATHRBDNM1ALDH1A1 | |
| SCHEMBL15454 | 0.63 | TSHR (0.46) | TSHRLMNATHRBDNM1ALDH1A1 | |
| Pentane SCHEMBL28068704 | 0.63 | TSHR (0.58) | TSHRLMNATHRBDNM1ALDH1A1 | |
| Pentane SCHEMBL27505707 | 0.63 | — | — | |
| Hexane SCHEMBL21801281 | 0.63 | TSHR (0.54) | TSHRLMNATHRBDNM1ALDH1A1 | |
| Heptane SCHEMBL11839960 | 0.60 | TSHR (0.61) | TSHRLMNATHRBDNM1ALDH1A1 | |
| Hexane SCHEMBL10588744 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0469432-A1 | Process for the production of cyanohydantoines | MERCK PATENT GmbH (DE) | 1992-02-05 | — | — | EP | disclosed |