Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GRM6 | O15303 | 1/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | ASPH | Q12797 | 2/20 | 0.39 |
| ▸ | KDM8 | Q8N371 | 2/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.36 |
| ▸ | MAPT | P10636 | 3/20 | 0.36 |
| ▸ | GLA | P06280 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 2/20 | 0.36 |
| ▸ | HPGD | P15428 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | MEN1 | O00255 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.35 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | ATR | Q13535 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL17671053 | 0.81 | CA12 (0.41) | GRM6KDM4EASPHKDM8ALDH1A1 | |
| SCHEMBL28152838 | 0.80 | ATR (0.47) | GRM6KDM4EHTTHSD17B10ALDH1A1 | |
| SCHEMBL6255617 | 0.80 | ATR (0.37) | GRM6HSD17B10ALDH1A1MAPTCYP2C9 | |
| SCHEMBL7080700 | 0.79 | KDM4E (0.42) | GRM6KDM4EASPHKDM8ALDH1A1 | |
| SCHEMBL29860445 | 0.78 | KDM4E (0.50) | KDM4EASPHKDM8HTTHSD17B10 | |
| SCHEMBL1243693 | 0.78 | KDM4E (0.50) | KDM4EASPHKDM8HTTHSD17B10 | |
| SCHEMBL27967004 | 0.78 | GABRA1 (0.36) | GRM6HSD17B10ALDH1A1MAPTCYP2C9 | |
| SCHEMBL5556257 | 0.78 | GRM6 (0.40) | GRM6ALDH1A1NPSR1CYP2C9CYP2C19 | |
| SCHEMBL16664683 | 0.78 | GRM6 (0.37) | GRM6KDM4EHTTHSD17B10ALDH1A1 | |
| SCHEMBL8683211 | 0.77 | GABRA1 (0.37) | GRM6HTTHSD17B10ALDH1A1MEN1 |
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-0758328-B1 | ANTI-CANCER COMPOUNDS CONTAINING CYCLOPENTAQUINAZOLINE RING | BTG INT LTD (GB) | 2003-07-16 | — | — | EP | disclosed |
| EP-0667864-B1 | TRICYCLIC COMPOUNDS WITH PHARMACEUTICAL ACTIVITY | ZENECA LTD (GB) | 1997-09-24 | — | — | EP | disclosed |