Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP11B2 | P19099 | 6/20 | 0.38 |
| ▸ | CYP11B1 | P15538 | 3/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP17A1 | P05093 | 1/20 | 0.38 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.38 |
| ▸ | BCHE | P06276 | 2/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | GABRA1 | P14867 | 3/20 | 0.34 |
| ▸ | GABRA5 | P31644 | 3/20 | 0.34 |
| ▸ | GABRA2 | P47869 | 3/20 | 0.34 |
| ▸ | GABRB2 | P47870 | 3/20 | 0.34 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.34 |
| ▸ | BRD4 | O60885 | 1/20 | 0.34 |
| ▸ | LMNA | P02545 | 1/20 | 0.34 |
| ▸ | HPGD | P15428 | 1/20 | 0.34 |
| ▸ | CNR1 | P21554 | 1/20 | 0.34 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.34 |
| ▸ | P2RX7 | Q99572 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | POLB | P06746 | 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 | |
|---|---|---|---|---|
| SCHEMBL23927125 | 1.00 | CYP11B2 (0.38) | CYP11B2CYP11B1CYP3A4CYP17A1CYP19A1 | |
| SCHEMBL23927168 | 0.86 | APLNR (0.42) | CYP11B2CYP11B1CYP3A4CYP17A1CYP19A1 | |
| SCHEMBL30202174 | 0.86 | APLNR (0.42) | CYP11B2CYP11B1CYP3A4CYP17A1CYP19A1 | |
| SCHEMBL23927172 | 0.84 | GABRA1 (0.35) | TDP1GABRA1GABRA5GABRA2GABRB2 | |
| SCHEMBL30202054 | 0.84 | GABRA1 (0.35) | TDP1GABRA1GABRA5GABRA2GABRB2 | |
| SCHEMBL23927217 | 0.82 | P2RX7 (0.35) | TDP1GABRA1GABRA5GABRA2GABRB2 | |
| SCHEMBL30202058 | 0.82 | P2RX7 (0.35) | TDP1GABRA1GABRA5GABRA2GABRB2 | |
| SCHEMBL30201940 | 0.82 | GABRA1 (0.48) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL23927145 | 0.82 | GABRA1 (0.48) | GABRA1GABRA5GABRA2GABRB2GABRA3 | |
| SCHEMBL23927147 | 0.77 | GABRA1 (0.51) | GABRA1GABRA5GABRA2GABRB2GABRA3 |
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 |
|---|---|---|---|---|---|---|---|
| EP-4139310-A1 | BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM | F. Hoffmann-La Roche AG (CH) | 2023-03-01 | — | — | EP | disclosed |