Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.39 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.39 |
| ▸ | HPGD | P15428 | 1/20 | 0.39 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | CDC7 | O00311 | 1/20 | 0.36 |
| ▸ | DBF4 | Q9UBU7 | 1/20 | 0.36 |
| ▸ | NPC1 | O15118 | 1/20 | 0.36 |
| ▸ | RAB9A | P51151 | 1/20 | 0.36 |
| ▸ | PIM1 | P11309 | 1/20 | 0.34 |
| ▸ | PIM2 | Q9P1W9 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | HTT | P42858 | 2/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.33 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.33 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.33 |
| ▸ | GRM1 | Q13255 | 1/20 | 0.33 |
| ▸ | TERT | O14746 | 1/20 | 0.33 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL30528397 | 0.76 | PIM2 (0.50) | HSD17B10KDM4EALDH1A1CDC7DBF4 | |
| SCHEMBL20239488 | 0.73 | TRPM8 (0.40) | — | |
| SCHEMBL30528350 | 0.72 | GRM1 (0.37) | HSD17B10KDM4EALDH1A1HPGDCYP1A2 | |
| SCHEMBL2311114 | 0.71 | KDM4E (0.50) | HSD17B10KDM4EALDH1A1CYP1A2NPC1 | |
| SCHEMBL20239450 | 0.69 | FAAH (0.33) | — | |
| SCHEMBL10291124 | 0.67 | NPSR1 (0.46) | KDM4EALDH1A1HPGDNPC1RAB9A | |
| SCHEMBL17212192 | 0.66 | ALDH1A1 (0.45) | KDM4EALDH1A1HPGDCYP1A2NPC1 | |
| SCHEMBL21333375 | 0.66 | FAAH (0.43) | ALDH1A1NPC1RAB9AMEN1MAPT | |
| SCHEMBL4568047 | 0.65 | CHRNA4 (0.36) | TDP1MEN1KMT2A | |
| SCHEMBL434252 | 0.64 | ALDH1A1 (0.59) | HSD17B10KDM4EALDH1A1CYP1A2NPC1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-116600803-A | Macrocyclic urea orexin receptor agonists | 默沙东有限责任公司 | 2023-08-15 | — | — | CN | disclosed |