Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B1 | P15538 | 4/20 | 0.37 |
| ▸ | CYP11B2 | P19099 | 4/20 | 0.37 |
| ▸ | BRD4 | O60885 | 2/20 | 0.36 |
| ▸ | PDE2A | O00408 | 1/20 | 0.36 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.36 |
| ▸ | BACE1 | P56817 | 2/20 | 0.35 |
| ▸ | ABL1 | P00519 | 1/20 | 0.33 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.33 |
| ▸ | AGPAT2 | O15120 | 1/20 | 0.33 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.32 |
| ▸ | PIK3CD | O00329 | 1/20 | 0.32 |
| ▸ | PIK3R1 | P27986 | 1/20 | 0.32 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.32 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.32 |
| ▸ | KCNK3 | O14649 | 1/20 | 0.32 |
| ▸ | KCNK9 | Q9NPC2 | 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 | |
|---|---|---|---|---|
| SCHEMBL6099972 | 0.93 | BACE1 (0.37) | CYP11B1CYP11B2BRD4BACE1MCHR1 | |
| SCHEMBL6103133 | 0.84 | SLC2A1 (0.39) | CYP11B1CYP11B2BRD4BACE1MCHR1 | |
| SCHEMBL6112173 | 0.79 | GAA (0.38) | BRD4BACE1TP53GAAKCNH2 | |
| SCHEMBL6099730 | 0.74 | CYP11B1 (0.33) | CYP11B1CYP11B2KCNH2CYP3A4ALDH1A1 | |
| SCHEMBL6102350 | 0.74 | ABL1 (0.31) | ABL1 | |
| SCHEMBL6102153 | 0.74 | KDR (0.41) | CYP11B1CYP11B2BRD4TP53GAA | |
| SCHEMBL6101231 | 0.72 | SLC2A1 (0.40) | BRD4KCNH2ALDH1A1 | |
| SCHEMBL5886346 | 0.72 | P2RX7 (0.37) | BRD4PDE2APDE10AABL1TP53 | |
| SCHEMBL6101462 | 0.70 | TRPA1 (0.48) | BRD4KCNH2ALDH1A1 | |
| SCHEMBL6101674 | 0.69 | GRM5 (0.34) | PDE2APDE10ATP53GAAKCNK3 |
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-20130150351-A1 | METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2013-06-13 | — | — | US | disclosed |
| US-20060014746-A1 | Heteroaryl substituted fused bicyclic heteroaryl compounds as GABAA receptor ligands | NEUROGEN CORPORATION | 2006-01-19 | — | — | US | disclosed |
| US-6936617-B2 | Heteroaryl substituted fused bicyclic heteroaryl compound as GABAA receptor ligands | NEUROGEN CORPORATION (US) | 2005-08-30 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20060014746-A1 | Heteroaryl substituted fused bicyclic heteroaryl compounds as GABAA receptor ligands | GABRA5, GABRA2, GABBR1 | CYP11B1 172/4885CYP11B2 108/4885BRD4 511/4885 |
| US-20130150351-A1 | METHODS AND COMPOSITIONS FOR TREATING A SUBJECT FOR CENTRAL NERVOUS SYSTEM (CNS) INJURY | GABBR2, GABBR1, GABRR3 | CYP11B1 4058/4885CYP11B2 3971/4885BRD4 2873/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.