Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CTSL | P07711 | 2/20 | 0.41 |
| ▸ | CTSB | P07858 | 2/20 | 0.41 |
| ▸ | CTSK | P43235 | 2/20 | 0.41 |
| ▸ | CTSV | O60911 | 1/20 | 0.41 |
| ▸ | CTSS | P25774 | 1/20 | 0.41 |
| ▸ | CTSC | P53634 | 1/20 | 0.41 |
| ▸ | CTSF | Q9UBX1 | 1/20 | 0.41 |
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.41 |
| ▸ | PSEN1 | P49768 | 2/20 | 0.40 |
| ▸ | PSEN2 | P49810 | 2/20 | 0.40 |
| ▸ | APH1B | Q8WW43 | 2/20 | 0.40 |
| ▸ | NCSTN | Q92542 | 2/20 | 0.40 |
| ▸ | APH1A | Q96BI3 | 2/20 | 0.40 |
| ▸ | PSENEN | Q9NZ42 | 2/20 | 0.40 |
| ▸ | DDB1 | Q16531 | 2/20 | 0.39 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.39 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.39 |
| ▸ | MAPT | P10636 | 1/20 | 0.39 |
| ▸ | OPRM1 | P35372 | 2/20 | 0.39 |
| ▸ | OPRL1 | P41146 | 2/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL7985833 | 0.79 | CYP3A4 (0.47) | CTSLCTSBCTSKCTSVCTSS | |
| SCHEMBL1288390 | 0.79 | CYP3A4 (0.47) | CTSLCTSBCTSKCTSVCTSS | |
| SCHEMBL418931 | 0.78 | SIGMAR1 (0.41) | CTSLCTSBCTSKCTSVCTSS | |
| SCHEMBL416422 | 0.78 | OPRM1 (0.50) | CTSLCTSBCTSKCTSVCTSS | |
| SCHEMBL21004783 | 0.78 | SIGMAR1 (0.43) | CTSLCTSBCTSKCTSVCTSS | |
| SCHEMBL20820799 | 0.76 | SLC6A2 (0.43) | CTSLCTSBCTSKSIGMAR1CYP2C19 | |
| Ethylene SCHEMBL7936439 | 0.75 | OPRM1 (0.48) | CTSLCTSBCTSKCTSVCTSS | |
| SCHEMBL19041070 | 0.74 | SIGMAR1 (0.42) | CTSLCTSBCTSKCTSVCTSS | |
| SCHEMBL664313 | 0.74 | SIGMAR1 (0.45) | CTSLCTSBCTSKCTSVCTSS | |
| SCHEMBL11244939 | 0.73 | CTSL (0.46) | CTSLCTSBCTSKCTSVCTSS |
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-118019745-A | Cyclohepta-thieno-diazapine derivatives as positive allosteric modulators of the GABAA gamma 1 receptor | 豪夫迈·罗氏有限公司 | 2024-05-10 | — | — | CN | disclosed |