Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 3/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | CRHBP | P24387 | 1/20 | 0.38 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.38 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.37 |
| ▸ | OPRM1 | P35372 | 3/20 | 0.35 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | CACNA1G | O43497 | 2/20 | 0.33 |
| ▸ | CACNA1H | O95180 | 2/20 | 0.33 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.33 |
| ▸ | GRIA2 | P42262 | 1/20 | 0.32 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL31069305 | 0.88 | CYP3A4 (0.41) | CYP3A4NPSR1TSHRCRHBPCRHR2 | |
| SCHEMBL31069388 | 0.88 | PARG (0.38) | CYP3A4NPSR1OPRM1OPRL1OPRK1 | |
| SCHEMBL31069408 | 0.87 | CYP3A4 (0.38) | CYP3A4NPSR1TSHRCRHBPCRHR2 | |
| SCHEMBL31069322 | 0.86 | CACNA1G (0.40) | CYP3A4NPSR1TSHRCRHBPCRHR2 | |
| SCHEMBL31069312 | 0.85 | CYP3A4 (0.32) | CYP3A4MAPK9GRIA2GRIN2A | |
| SCHEMBL31069404 | 0.84 | CYP3A4 (0.48) | CYP3A4NPSR1TSHRCRHBPCRHR2 | |
| SCHEMBL31069245 | 0.82 | CYP3A4 (0.38) | CYP3A4NPSR1ALDH1A1POLBCACNA1G | |
| SCHEMBL31069413 | 0.76 | CYP3A4 (0.43) | CYP3A4CACNA1GCACNA1H | |
| SCHEMBL31069366 | 0.76 | PARG (0.36) | — | |
| SCHEMBL31069389 | 0.72 | PARG (0.36) | TSHRALDH1A1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024174953-A1 | BENZIMIDAZOLE DERIVATIVE AND MEDICAL USE THEREOF | 苏州隆博泰药业有限公司 | 2024-08-29 | — | — | WO | claimed |
| WO-2024174953-A1 | BENZIMIDAZOLE DERIVATIVE AND MEDICAL USE THEREOF | 苏州隆博泰药业有限公司 | 2024-08-29 | — | — | WO | disclosed |