Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | AKR1B1 | P15121 | 2/20 | 0.57 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.50 |
| ▸ | CXCL8 | P10145 | 6/20 | 0.47 |
| ▸ | BCAT2 | O15382 | 1/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 2/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.42 |
| ▸ | GLA | P06280 | 1/20 | 0.42 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 2/20 | 0.41 |
| ▸ | PTGS1 | P23219 | 2/20 | 0.41 |
| ▸ | AKR1B10 | O60218 | 1/20 | 0.41 |
| ▸ | UGT1A9 | O60656 | 1/20 | 0.41 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.41 |
| ▸ | ABCB11 | O95342 | 1/20 | 0.41 |
| ▸ | MT-CO2 | P00403 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1272101 | 0.82 | AKR1B1 (0.47) | AKR1B1TDP1CXCL8BCAT2KDM4E | |
| SCHEMBL30359 | 0.79 | AKR1B1 (0.76) | AKR1B1TDP1CXCL8BCAT2KDM4E | |
| SCHEMBL29410826 | 0.79 | AKR1B1 (0.76) | AKR1B1TDP1CXCL8BCAT2KDM4E | |
| SCHEMBL8464174 | 0.78 | PTGS1 (0.50) | AKR1B1TDP1CYP1A2GAAPTGS1 | |
| Hydrochloric Acid SCHEMBL6767821 | 0.77 | AKR1B1 (0.73) | AKR1B1TDP1CXCL8BCAT2KDM4E | |
| Hydrogen Sulfide SCHEMBL27426416 | 0.77 | AKR1B1 (0.73) | AKR1B1TDP1CXCL8BCAT2KDM4E | |
| Hydrochloric Acid SCHEMBL9621764 | 0.77 | AKR1B1 (0.73) | AKR1B1TDP1CXCL8BCAT2KDM4E | |
| Iodide SCHEMBL31305035 | 0.77 | AKR1B1 (0.73) | AKR1B1TDP1CXCL8BCAT2KDM4E | |
| SCHEMBL28842838 | 0.77 | AKR1B1 (0.73) | AKR1B1TDP1CXCL8BCAT2KDM4E | |
| SCHEMBL8463280 | 0.77 | AKR1B1 (0.54) | AKR1B1TDP1CXCL8BCAT2KDM4E |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0745326-B1 | Stabilization of aqueous 3-isothiazolone solutions | ROHM & HAAS (US) | 1999-09-22 | — | — | EP | disclosed |
| US-5594017-A | WITH AN IODOSYL OR IODYL COMPOUND | ROHM AND HAAS COMPANY (US) | 1997-01-14 | — | — | US | disclosed |
| EP-0745326-A1 | Stabilization of aqueous 3-isothiazolone solutions | ROHM AND HAAS COMPANY (US) | 1996-12-04 | — | — | EP | disclosed |