Predicted protein targets (top 13)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | OAT | P04181 | 1/20 | 0.52 |
| ▸ | ABAT | P80404 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 3/20 | 0.39 |
| ▸ | GABRR1 | P24046 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.35 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.35 |
| ▸ | LMNA | P02545 | 1/20 | 0.35 |
| ▸ | THRB | P10828 | 1/20 | 0.34 |
| ▸ | BLM | P54132 | 1/20 | 0.34 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL23299699 | 1.00 | OAT (0.52) | OATABATCES2GABRR1TSHR | |
| Hydrochloric Acid SCHEMBL23274797 | 0.98 | OAT (0.50) | OATABATCES2GABRR1TSHR | |
| SCHEMBL23706926 | 0.80 | ABAT (0.47) | OATABATGABRR1TSHRMAPK1 | |
| Hydrochloric Acid SCHEMBL23699861 | 0.78 | ABAT (0.46) | OATABATGABRR1TSHRMAPK1 | |
| SCHEMBL30782573 | 0.75 | — | — | |
| SCHEMBL23144983 | 0.75 | — | — | |
| SCHEMBL23781995 | 0.69 | — | — | |
| SCHEMBL21232956 | 0.69 | — | — | |
| SCHEMBL29615783 | 0.69 | — | — | |
| Gabaculine SCHEMBL23622815 | 0.68 | OAT (1.00) | OATABATCES2GABRR1TSHR |
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 |