Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.46 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL5693876 | 0.88 | TSHR (0.39) | TSHRALDH1A1TDP1 | |
| SCHEMBL14223303 | 0.80 | TSHR (0.41) | TSHR | |
| SCHEMBL9921701 | 0.79 | TSHR (0.60) | TSHRALDH1A1TDP1 | |
| SCHEMBL5506344 | 0.76 | — | — | |
| SCHEMBL9302609 | 0.76 | — | — | |
| SCHEMBL23049074 | 0.75 | TSHR (0.33) | TSHR | |
| SCHEMBL24114035 | 0.74 | TSHR (0.36) | TSHR | |
| SCHEMBL134615 | 0.72 | TSHR (0.36) | TSHRTDP1 | |
| SCHEMBL5201379 | 0.72 | — | — | |
| SCHEMBL26316534 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6258854-B1 | KETONE ETHERS FOR ODORS | GIVAUDAN ROURE ( INTERNATIONAL ) SA (CH) | 2001-07-10 | — | — | US | disclosed |
| EP-0983990-A2 | Ketones useful as precursors for organoleptic compounds | Givaudan Roure (International) S.A. (CH) | 2000-03-08 | — | — | EP | disclosed |