Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NPC1 | O15118 | 6/20 | 0.64 |
| ▸ | RAB9A | P51151 | 6/20 | 0.64 |
| ▸ | SMN1; SMN2 | Q16637 | 6/20 | 0.64 |
| ▸ | GRM4 | Q14833 | 4/20 | 0.64 |
| ▸ | PKM | P14618 | 3/20 | 0.64 |
| ▸ | KDR | P35968 | 3/20 | 0.64 |
| ▸ | MAPT | P10636 | 2/20 | 0.64 |
| ▸ | JAK2 | O60674 | 2/20 | 0.62 |
| ▸ | TYK2 | P29597 | 2/20 | 0.62 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.61 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.60 |
| ▸ | MITF | O75030 | 1/20 | 0.60 |
| ▸ | LMNA | P02545 | 1/20 | 0.60 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.59 |
| ▸ | KCNK9 | Q9NPC2 | 1/20 | 0.59 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.58 |
| ▸ | HTT | P42858 | 2/20 | 0.58 |
| ▸ | TP53 | P04637 | 1/20 | 0.57 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.57 |
| ▸ | KLF5 | Q13887 | 1/20 | 0.57 |
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 | |
|---|---|---|---|---|
| SCHEMBL12469044 | 1.00 | NPC1 (0.64) | NPC1RAB9ASMN1; SMN2GRM4PKM | |
| SCHEMBL30210285 | 0.93 | NPC1 (0.61) | NPC1RAB9ASMN1; SMN2GRM4PKM | |
| SCHEMBL231897 | 0.89 | KDR (0.78) | NPC1RAB9ASMN1; SMN2GRM4PKM | |
| SCHEMBL29184186 | 0.87 | KDR (0.76) | NPC1RAB9ASMN1; SMN2GRM4PKM | |
| SCHEMBL28947571 | 0.84 | NPC1 (0.67) | NPC1RAB9ASMN1; SMN2GRM4PKM | |
| SCHEMBL5898991 | 0.82 | GRM4 (0.60) | NPC1RAB9ASMN1; SMN2GRM4PKM | |
| SCHEMBL10415452 | 0.82 | GRM4 (0.65) | NPC1RAB9ASMN1; SMN2GRM4PKM | |
| SCHEMBL6037590 | 0.82 | KDR (0.78) | NPC1RAB9ASMN1; SMN2GRM4PKM | |
| SCHEMBL20990144 | 0.82 | NPC1 (0.67) | NPC1RAB9ASMN1; SMN2GRM4PKM | |
| SCHEMBL6037587 | 0.82 | NPC1 (0.65) | NPC1RAB9ASMN1; SMN2GRM4PKM |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111868037-B | Fused cyclic urea derivatives as CRHR2 antagonists | 拉夸里亚创药株式会社 | 2023-10-13 | — | — | CN | claimed |
| EP-3774739-B1 | FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST | RAQUALIA PHARMA INC (JP) | 2022-05-11 | — | — | EP | claimed |
| CN-117843566-A | Polysubstituted benzene derivative, composition and use thereof | 康迈迪森(北京)医药科技有限公司 | 2024-04-09 | — | — | CN | disclosed |
| CN-111868037-B | Fused cyclic urea derivatives as CRHR2 antagonists | 拉夸里亚创药株式会社 | 2023-10-13 | — | — | CN | disclosed |
| EP-3617196-B1 | N-(4-PYRIDYL) NICOTINAMIDE COMPOUND OR SALT THEREOF | ISHIHARA SANGYO KAISHA (JP) | 2023-06-07 | — | — | EP | disclosed |
| CN-111732548-B | N2-carbamyl aromatic ring-2-aminopyrimidine derivatives and medical application thereof | 浙江大学 | 2022-06-17 | — | — | CN | disclosed |