Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.49 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.49 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.49 |
| ▸ | EGFR | P00533 | 8/20 | 0.39 |
| ▸ | ERBB2 | P04626 | 4/20 | 0.39 |
| ▸ | MAPT | P10636 | 5/20 | 0.38 |
| ▸ | CYP2C9 | P11712 | 4/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.38 |
| ▸ | HPGD | P15428 | 4/20 | 0.37 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 5/20 | 0.36 |
| ▸ | MEN1 | O00255 | 4/20 | 0.36 |
| ▸ | LMNA | P02545 | 4/20 | 0.36 |
| ▸ | RGS12 | O14924 | 3/20 | 0.36 |
| ▸ | CYP3A4 | P08684 | 3/20 | 0.36 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 3/20 | 0.36 |
| ▸ | BLM | P54132 | 3/20 | 0.36 |
| ▸ | GNAI1 | P63096 | 3/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 3/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL21134491 | 1.00 | GABRA1 (0.49) | GABRA1GABRG2GABRB3EGFRERBB2 | |
| SCHEMBL21056104 | 1.00 | GABRA1 (0.49) | GABRA1GABRG2GABRB3EGFRERBB2 | |
| SCHEMBL26552257 | 0.82 | RPS6KA3 (0.48) | GABRA1GABRG2GABRB3EGFRERBB2 | |
| SCHEMBL13681565 | 0.81 | EGFR (0.46) | GABRA1GABRG2GABRB3EGFRERBB2 | |
| SCHEMBL26552237 | 0.80 | GABRA1 (0.51) | GABRA1GABRG2GABRB3MAPTALDH1A1 | |
| SCHEMBL12755365 | 0.78 | GABRA1 (0.53) | GABRA1GABRG2GABRB3EGFRERBB2 | |
| SCHEMBL11957026 | 0.78 | GABRA1 (0.53) | GABRA1GABRG2GABRB3EGFRERBB2 | |
| SCHEMBL13908793 | 0.78 | GABRA1 (0.53) | GABRA1GABRG2GABRB3EGFRERBB2 | |
| SCHEMBL12715623 | 0.78 | GABRA1 (0.45) | GABRA1GABRG2GABRB3EGFRERBB2 | |
| SCHEMBL17884073 | 0.78 | EGFR (0.43) | GABRA1GABRG2GABRB3EGFRERBB2 |
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-3498273-A1 | PHARMACEUTICAL COMPOSITION FOR MODULATING THE RESPONSE OF A GABA-A RECEPTOR | Universität Wien (AT) | 2019-06-19 | — | — | EP | disclosed |
| EP-3498273-A1 | PHARMACEUTICAL COMPOSITION FOR MODULATING THE RESPONSE OF A GABA-A RECEPTOR | Universität Wien (AT) | 2019-06-19 | — | — | EP | disclosed |