Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES1 | P23141 | 2/20 | 0.52 |
| ▸ | CES2 | O00748 | 1/20 | 0.52 |
| ▸ | AKR1B1 | P15121 | 1/20 | 0.52 |
| ▸ | TSHR | P16473 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.44 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.44 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.44 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.43 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.43 |
| ▸ | CASP1 | P29466 | 1/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 2/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | FNTA | P49354 | 1/20 | 0.43 |
| ▸ | FNTB | P49356 | 1/20 | 0.43 |
| ▸ | CALM1 | P0DP23 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1493 | 0.81 | CES1 (0.64) | CES1CES2AKR1B1TSHRMEN1 | |
| SCHEMBL27293995 | 0.81 | CES1 (0.64) | CES1CES2AKR1B1TSHRMEN1 | |
| SCHEMBL575184 | 0.80 | CES1 (0.55) | CES1CES2AKR1B1TSHRMEN1 | |
| Hydrochloric Acid SCHEMBL3047868 | 0.79 | CES1 (0.61) | CES1CES2AKR1B1TSHRMEN1 | |
| Hydrogen Sulfide SCHEMBL27809609 | 0.79 | CES1 (0.61) | CES1CES2AKR1B1TSHRMEN1 | |
| Methyl Alcohol SCHEMBL3883089 | 0.77 | CES1 (0.58) | CES1CES2AKR1B1TSHRMEN1 | |
| Methylene Chloride SCHEMBL27366334 | 0.77 | CES1 (0.58) | CES1CES2AKR1B1TSHRMEN1 | |
| Ethane SCHEMBL10956080 | 0.77 | CES1 (0.58) | CES1CES2AKR1B1TSHRMEN1 | |
| Hydrochloric Acid SCHEMBL29120664 | 0.77 | CES1 (0.58) | CES1CES2AKR1B1TSHRMEN1 | |
| SCHEMBL5576670 | 0.76 | CES1 (0.50) | CES1CES2AKR1B1TSHRMEN1 |
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 |
|---|---|---|---|---|---|---|---|
| US-5376684-A | Aminobutyric acid antagonist; antiepileptic agent | CIBA-GEIGY CORPORATION (US) | 1994-12-27 | — | — | US | disclosed |