Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HCAR3 | P49019 | 8/20 | 0.53 |
| ▸ | PTGES | O14684 | 1/20 | 0.47 |
| ▸ | DEGS1 | O15121 | 2/20 | 0.43 |
| ▸ | TRPV1 | Q8NER1 | 1/20 | 0.43 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | GCK | P35557 | 2/20 | 0.42 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.41 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.41 |
| ▸ | LMNA | P02545 | 1/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | RARA | P10276 | 1/20 | 0.41 |
| ▸ | RARB | P10826 | 1/20 | 0.41 |
| ▸ | RARG | P13631 | 1/20 | 0.41 |
| ▸ | RORC | P51449 | 1/20 | 0.41 |
| ▸ | GSK3A | P49840 | 1/20 | 0.40 |
| ▸ | GSK3B | P49841 | 1/20 | 0.40 |
| ▸ | AURKA | O14965 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL31585829 | 0.87 | HCAR3 (0.63) | HCAR3PTGESDEGS1TRPV1NPC1 | |
| SCHEMBL5234574 | 0.87 | HCAR3 (0.63) | HCAR3PTGESDEGS1TRPV1NPC1 | |
| SCHEMBL5738920 | 0.76 | PTGES (0.59) | HCAR3PTGESDEGS1TRPV1NPC1 | |
| SCHEMBL26405652 | 0.74 | PTGES (0.57) | HCAR3PTGESDEGS1TRPV1NPC1 | |
| SCHEMBL30416204 | 0.74 | DEGS1 (0.60) | PTGESDEGS1TRPV1NPC1RAB9A | |
| Hydrochloric Acid SCHEMBL30415721 | 0.73 | DEGS1 (0.59) | PTGESDEGS1TRPV1NPC1RAB9A | |
| SCHEMBL21062101 | 0.73 | HCAR3 (0.58) | HCAR3 | |
| SCHEMBL20602049 | 0.72 | HCAR3 (0.57) | HCAR3PTGESDEGS1TRPV1NPC1 | |
| SCHEMBL8554805 | 0.72 | HCAR3 (0.59) | HCAR3DEGS1 | |
| SCHEMBL5233704 | 0.72 | HCAR3 (0.68) | HCAR3NPC1RAB9AGCKGAA |
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 |
|---|---|---|---|---|---|---|---|
| CN-112654608-B | Fused ring compound having urea structure | 桑福德伯纳姆普利斯医学发现研究所 | 2024-05-07 | — | — | CN | disclosed |
| CN-112654608-A | Condensed ring compounds having urea structure | 桑福德伯纳姆普利斯医学发现研究所 | 2021-04-13 | — | — | CN | disclosed |