Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRR1 | P24046 | 1/20 | 0.40 |
| ▸ | ABAT | P80404 | 2/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 3/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 3/20 | 0.33 |
| ▸ | CYP1A2 | P05177 | 3/20 | 0.33 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.33 |
| ▸ | OAT | P04181 | 1/20 | 0.33 |
| ▸ | SLC1A3 | P43003 | 1/20 | 0.33 |
| ▸ | SLC1A2 | P43004 | 1/20 | 0.33 |
| ▸ | SLC1A1 | P43005 | 1/20 | 0.33 |
| ▸ | TSHR | P16473 | 2/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 2/20 | 0.32 |
| ▸ | APLNR | P35414 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 1/20 | 0.32 |
| ▸ | GABRD | O14764 | 1/20 | 0.32 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.32 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.32 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.32 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.32 |
| ▸ | GABRA5 | P31644 | 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 | |
|---|---|---|---|---|
| SCHEMBL1860320 | 1.00 | GABRR1 (0.40) | GABRR1ABATCYP2C19CYP2D6CYP1A2 | |
| SCHEMBL3489126 | 1.00 | GABRR1 (0.40) | GABRR1ABATCYP2C19CYP2D6CYP1A2 | |
| SCHEMBL31162259 | 1.00 | GABRR1 (0.40) | GABRR1ABATCYP2C19CYP2D6CYP1A2 | |
| SCHEMBL31162331 | 1.00 | GABRR1 (0.40) | GABRR1ABATCYP2C19CYP2D6CYP1A2 | |
| SCHEMBL20602646 | 1.00 | GABRR1 (0.40) | GABRR1ABATCYP2C19CYP2D6CYP1A2 | |
| SCHEMBL31162246 | 1.00 | GABRR1 (0.40) | GABRR1ABATCYP2C19CYP2D6CYP1A2 | |
| SCHEMBL20599432 | 0.84 | CYP2C19 (0.41) | GABRR1ABATCYP2C19CYP2D6CYP1A2 | |
| SCHEMBL15129665 | 0.84 | CYP2C19 (0.41) | GABRR1ABATCYP2C19CYP2D6CYP1A2 | |
| SCHEMBL31162423 | 0.84 | CYP2C19 (0.41) | GABRR1ABATCYP2C19CYP2D6CYP1A2 | |
| Hydrochloric Acid SCHEMBL11818531 | 0.81 | CYP2C19 (0.39) | GABRR1ABATCYP2C19CYP2D6CYP1A2 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023154426-A1 | CDK INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2023-08-17 | — | — | WO | disclosed |