Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 1/20 | 0.37 |
| ▸ | OPRK1 | P41145 | 3/20 | 0.36 |
| ▸ | HPGD | P15428 | 3/20 | 0.36 |
| ▸ | PTAFR | P25105 | 3/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 5/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 5/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 5/20 | 0.33 |
| ▸ | GABRB2 | P47870 | 4/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 3/20 | 0.33 |
| ▸ | TSHR | P16473 | 1/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | RECQL | P46063 | 1/20 | 0.33 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.33 |
| ▸ | BRD4 | O60885 | 1/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | CNR1 | P21554 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.30 |
| ▸ | HTR2A | P28223 | 1/20 | 0.30 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL23927136 | 1.00 | CYP3A4 (0.37) | CYP3A4OPRK1HPGDPTAFRTDP1 | |
| SCHEMBL23952873 | 0.90 | OPRK1 (0.36) | OPRK1HPGDPTAFRTDP1GABRA1 | |
| Hydrochloric Acid SCHEMBL30201924 | 0.89 | OPRK1 (0.36) | OPRK1HPGDPTAFRTDP1GABRA1 | |
| Hydrochloric Acid SCHEMBL23927141 | 0.89 | OPRK1 (0.36) | OPRK1HPGDPTAFRTDP1GABRA1 | |
| SCHEMBL23904659 | 0.86 | CYP3A4 (0.36) | CYP3A4OPRK1HPGDPTAFRGABRA1 | |
| SCHEMBL30201940 | 0.84 | GABRA1 (0.48) | OPRK1HPGDPTAFRGABRA1GABRA5 | |
| SCHEMBL23927145 | 0.84 | GABRA1 (0.48) | OPRK1HPGDPTAFRGABRA1GABRA5 | |
| SCHEMBL30202120 | 0.81 | TDP1 (0.34) | PTAFRTDP1GABRA1GABRA5GABRA2 | |
| SCHEMBL23927131 | 0.81 | TDP1 (0.34) | PTAFRTDP1GABRA1GABRA5GABRA2 | |
| SCHEMBL23927220 | 0.81 | MAPK1 (0.39) | CYP3A4OPRK1HPGDPTAFRKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| EP-4139310-A1 | BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM | F. Hoffmann-La Roche AG (CH) | 2023-03-01 | — | — | EP | claimed |
| EP-4139310-A1 | BENZODIAZEPINE DERIVATIVES AS GABA A GAMMA1 PAM | F. Hoffmann-La Roche AG (CH) | 2023-03-01 | — | — | EP | disclosed |