Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 6/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.45 |
| ▸ | HPGD | P15428 | 4/20 | 0.45 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.45 |
| ▸ | HTT | P42858 | 3/20 | 0.45 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.45 |
| ▸ | TP53 | P04637 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 2/20 | 0.45 |
| ▸ | JAK2 | O60674 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 1/20 | 0.45 |
| ▸ | STAT3 | P40763 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | PIK3R1 | P27986 | 2/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 2/20 | 0.43 |
| ▸ | TSHR | P16473 | 5/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 5/20 | 0.41 |
| ▸ | ADORA1 | P30542 | 5/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL7221651 | 0.78 | PDE4D (0.46) | KDM4EHTTTP53TSHRCYP2D6 | |
| SCHEMBL7221654 | 0.76 | ESR1 (0.41) | KDM4EALDH1A1HTTTP53TSHR | |
| SCHEMBL7689636 | 0.75 | KCNH2 (0.46) | KDM4EALDH1A1HTTTP53TSHR | |
| SCHEMBL7218903 | 0.74 | KCNH2 (0.53) | KDM4EHSD17B10HPGDALDH1A1HTT | |
| SCHEMBL1258312 | 0.73 | KCNH2 (0.47) | KDM4EALDH1A1HTTTP53TSHR | |
| SCHEMBL2790280 | 0.73 | ALDH1A1 (0.48) | KDM4EALDH1A1HTTTP53TSHR | |
| SCHEMBL2790491 | 0.72 | KCNH2 (0.46) | KDM4EALDH1A1HTTTP53TSHR | |
| SCHEMBL2608426 | 0.72 | CYP2D6 (0.46) | KDM4EALDH1A1HTTTP53TSHR | |
| SCHEMBL1655812 | 0.72 | KCNH2 (0.49) | KDM4EALDH1A1HTTTP53TSHR | |
| SCHEMBL30604781 | 0.72 | KCNH2 (0.46) | KDM4EALDH1A1HTTTP53TSHR |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6583156-B1 | Particularly adenosine A2A receptors; neurodegenerative disorders; 2,8-bis(trifluoromethyl)-alpha -(3-thienyl)-4-quinolinemethanol | VERNALIS RESEARCH LIMITED (GB) | 2003-06-24 | — | — | US | disclosed |
| EP-1107760-A2 | 4-QUINOLINEMETHANOL DERIVATIVES AS PURINE RECEPTOR ANTAGONISTS (I) | VERNALIS RESEARCH LIMITED (GB) | 2001-06-20 | — | — | EP | disclosed |
| WO-2000013681-A2 | 4-QUINOLINEMETHANOL DERIVATIVES AS PURINE RECEPTOR ANTAGONISTS (I) | VERNALIS RESEARCH LIMITED (GB) | 2000-03-16 | — | — | WO | disclosed |