Predicted protein targets (top 7)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 1/20 | 0.45 |
| ▸ | DHFR | P00374 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL5260181 | 0.96 | NPC1 (0.50) | NPC1DHFRKDM4EALDH1A1NPSR1 | |
| SCHEMBL5259729 | 0.94 | DHFR (0.46) | NPC1DHFRKDM4ETSHR | |
| SCHEMBL1716008 | 0.89 | CNR2 (0.48) | DHFR | |
| SCHEMBL29949593 | 0.84 | HTR1A (0.44) | — | |
| SCHEMBL6737897 | 0.83 | CNR2 (0.46) | DHFRKDM4ETSHR | |
| SCHEMBL6235260 | 0.83 | TSHR (0.63) | DHFRKDM4EALDH1A1HSD17B10TSHR | |
| SCHEMBL29950001 | 0.81 | TSHR (0.45) | TSHR | |
| SCHEMBL5309142 | 0.79 | HPGD (0.44) | DHFRALDH1A1NPSR1HSD17B10TSHR | |
| SCHEMBL19179039 | 0.79 | CYP1A2 (0.50) | NPC1DHFRKDM4EALDH1A1NPSR1 | |
| SCHEMBL6736819 | 0.78 | DHFR (0.43) | DHFRKDM4EALDH1A1NPSR1TSHR |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004052312-A2 | ANTI-INFECTIVES | SMITHKLINE BEECHAM CORPORATION (US) | 2004-06-24 | — | — | WO | disclosed |