Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OAT | P04181 | 1/20 | 0.43 |
| ▸ | ABAT | P80404 | 1/20 | 0.38 |
| ▸ | SRD5A2 | P31213 | 3/20 | 0.36 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.33 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.33 |
| ▸ | THRB | P10828 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | GABRP | O00591 | 1/20 | 0.31 |
| ▸ | GABRD | O14764 | 1/20 | 0.31 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.31 |
| ▸ | GABRB1 | P18505 | 1/20 | 0.31 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.31 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.31 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.31 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.31 |
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 | |
|---|---|---|---|---|
| SCHEMBL23299700 | 1.00 | OAT (0.43) | OATABATSRD5A2GABRR1TSHR | |
| SCHEMBL23299694 | 0.82 | OAT (0.46) | OATABATSRD5A2GABRR1TSHR | |
| SCHEMBL27232796 | 0.82 | OAT (0.46) | OATABATSRD5A2GABRR1TSHR | |
| Hydrochloric Acid SCHEMBL23274778 | 0.81 | OAT (0.44) | OATABATSRD5A2GABRR1TSHR | |
| Hydrochloric Acid SCHEMBL23274780 | 0.81 | OAT (0.44) | OATABATSRD5A2GABRR1TSHR | |
| SCHEMBL27224967 | 0.71 | ABAT (0.42) | OATABATGABRR1TSHRMAPK1 | |
| SCHEMBL27231957 | 0.71 | ABAT (0.42) | OATABATGABRR1TSHRMAPK1 | |
| Hydrochloric Acid SCHEMBL27224962 | 0.69 | ABAT (0.41) | OATABATGABRR1TSHRMAPK1 | |
| SCHEMBL23299696 | 0.66 | TSHR (0.37) | SRD5A2GABRR1TSHRBLMGABRP | |
| SCHEMBL23144983 | 0.63 | — | — |
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-2021081523-A1 | FLUORINE SUBSTITUTED CECLOHEXENE ANALOGOUES OF GAMMA-AMINOBUTYRIC ACID (GABA) | NORTHWESTERN UNIVERSITY (US) | 2021-04-29 | — | — | WO | disclosed |