Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | ACHE | P22303 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.31 |
| ▸ | NLRP3 | Q96P20 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 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 | |
|---|---|---|---|---|
| SCHEMBL25838476 | 0.85 | TSHR (0.32) | TSHRACHENLRP3 | |
| SCHEMBL14163871 | 0.80 | TSHR (0.35) | TSHRACHEGABRA1GABRB2NLRP3 | |
| SCHEMBL9507129 | 0.78 | GABRA1 (0.36) | TSHRACHEGABRA1GABRB2NLRP3 | |
| SCHEMBL13450447 | 0.78 | GABRA1 (0.36) | TSHRACHEGABRA1GABRB2NLRP3 | |
| SCHEMBL28820101 | 0.76 | TSHR (0.35) | TSHRACHEGABRA1GABRB2NLRP3 | |
| SCHEMBL28092974 | 0.76 | TSHR (0.35) | TSHRACHEGABRA1GABRB2NLRP3 | |
| SCHEMBL12713575 | 0.72 | ACHE (0.39) | TSHRACHEGABRA1GABRB2 | |
| SCHEMBL11431192 | 0.72 | ACHE (0.39) | TSHRACHEGABRA1GABRB2 | |
| SCHEMBL5962153 | 0.72 | KCNN4 (0.40) | — | |
| SCHEMBL5588546 | 0.72 | ALDH1A1 (0.38) | TSHRACHEGABRA1GABRB2 |
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-0975570-A1 | PHENOKETALS AND THE USE THEREOF AS ODORIFEROUS SUBSTANCES | Cognis Deutschland GmbH (DE) | 2000-02-02 | — | — | EP | disclosed |
| WO-1998045236-A1 | PHENOKETALS AND THE USE THEREOF AS ODORIFEROUS SUBSTANCES | COGNIS DEUTSCHLAND GMBH (DE) | 1998-10-15 | — | — | WO | disclosed |