Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ABAT | P80404 | 2/20 | 0.50 |
| ▸ | GABRR1 | P24046 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 2/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.37 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.37 |
| ▸ | THRB | P10828 | 1/20 | 0.36 |
| ▸ | BLM | P54132 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.36 |
| ▸ | OAT | P04181 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL29317634 | 1.00 | ABAT (0.50) | ABATGABRR1TSHRMAPK1HSD17B10 | |
| SCHEMBL29317690 | 0.72 | ABAT (0.35) | ABAT | |
| SCHEMBL18735614 | 0.70 | ABAT (0.44) | ABATGABRR1TSHRMAPK1HSD17B10 | |
| SCHEMBL18717800 | 0.67 | ABAT (1.00) | ABATGABRR1TSHRMAPK1HSD17B10 | |
| SCHEMBL22645702 | 0.67 | ABAT (1.00) | ABATGABRR1TSHRMAPK1HSD17B10 | |
| SCHEMBL325503 | 0.66 | — | — | |
| SCHEMBL25405315 | 0.66 | ABAT (0.71) | ABATGABRR1TSHRMAPK1HSD17B10 | |
| Hydrochloric Acid SCHEMBL22645698 | 0.66 | ABAT (0.96) | ABATGABRR1TSHRMAPK1HSD17B10 | |
| Hydrochloric Acid SCHEMBL22645697 | 0.66 | ABAT (0.96) | ABATGABRR1TSHRMAPK1HSD17B10 | |
| SCHEMBL29276851 | 0.66 | ABAT (0.71) | ABATGABRR1TSHRMAPK1HSD17B10 |
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-2022217063-A1 | (S)-3-AMINO-4-(DIFLUOROMETHYLENE)CYCLOHEXENE AND CYCLOHEXANE CARBOXYLIC ACID AND USES THEREOF AS SELECTIVE INACTIVATORS OF HUMAN ORNITHINE AMINOTRANSFERASE (HOAT) | NORTHWESTERN UNIVERSITY (US) | 2022-10-13 | — | — | WO | disclosed |