Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRR1 | P24046 | 1/20 | 0.46 |
| ▸ | ABAT | P80404 | 2/20 | 0.41 |
| ▸ | OAT | P04181 | 1/20 | 0.37 |
| ▸ | SLC6A12 | P48065 | 3/20 | 0.36 |
| ▸ | SLC6A11 | P48066 | 3/20 | 0.36 |
| ▸ | SLC6A13 | Q9NSD5 | 3/20 | 0.36 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 3/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.34 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.34 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.33 |
| ▸ | PLG | P00747 | 1/20 | 0.33 |
| ▸ | PLAT | P00750 | 1/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | SLC6A4 | P31645 | 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 |
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 | |
|---|---|---|---|---|
| SCHEMBL691392 | 1.00 | GABRR1 (0.46) | GABRR1ABATOATSLC6A12SLC6A11 | |
| SCHEMBL29830250 | 1.00 | GABRR1 (0.46) | GABRR1ABATOATSLC6A12SLC6A11 | |
| Hydrochloric Acid SCHEMBL23699865 | 0.98 | GABRR1 (0.44) | GABRR1ABATOATSLC6A12SLC6A11 | |
| SCHEMBL31162423 | 0.84 | CYP2C19 (0.41) | GABRR1ABATOATCYP2C19ALOX15 | |
| SCHEMBL20599432 | 0.84 | CYP2C19 (0.41) | GABRR1ABATOATCYP2C19ALOX15 | |
| SCHEMBL15129665 | 0.84 | CYP2C19 (0.41) | GABRR1ABATOATCYP2C19ALOX15 | |
| Hydrochloric Acid SCHEMBL11818531 | 0.81 | CYP2C19 (0.39) | GABRR1ABATOATSLC6A12SLC6A11 | |
| SCHEMBL18208189 | 0.81 | GABRR1 (0.48) | GABRR1ABATOATSLC6A12SLC6A11 | |
| SCHEMBL3579841 | 0.81 | GABRR1 (0.48) | GABRR1ABATOATSLC6A12SLC6A11 | |
| SCHEMBL11938161 | 0.81 | GABRR1 (0.58) | GABRR1ABATOATSLC6A12SLC6A11 |
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-2023220131-A2 | PI3Kα INHIBITORS AND METHODS OF USE THEREOF | RELAY THERAPEUTICS, INC. (US) | 2023-11-16 | — | — | WO | disclosed |