Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 2/20 | 0.40 |
| ▸ | CES1 | P23141 | 2/20 | 0.40 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GSR | P00390 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.37 |
| ▸ | ADAM17 | P78536 | 1/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.36 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.36 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 2/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.36 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.35 |
| ▸ | FBP1 | P09467 | 2/20 | 0.34 |
| ▸ | ACP3 | P15309 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL8856342 | 0.79 | FBP1 (0.37) | CYP1A2ALDH1A1LMNAHPGDHIF1A | |
| SCHEMBL10866061 | 0.79 | CES2 (0.42) | CYP1A2CES2CES1ALDH1A1LMNA | |
| SCHEMBL446453 | 0.77 | CES2 (0.43) | CYP1A2CES2CES1ALDH1A1LMNA | |
| Bromide SCHEMBL29163778 | 0.76 | NPC1 (0.42) | CYP1A2CES2CES1ALDH1A1LMNA | |
| SCHEMBL11795354 | 0.75 | ALDH1A1 (0.58) | CYP1A2CES2CES1ALDH1A1LMNA | |
| SCHEMBL1150553 | 0.75 | LMNA (0.44) | CYP1A2CES2CES1ALDH1A1LMNA | |
| SCHEMBL27940887 | 0.73 | DPP4 (0.46) | ALDH1A1LMNAGSRNPC1ADAM17 | |
| SCHEMBL514558 | 0.73 | DPP4 (0.46) | ALDH1A1LMNAGSRNPC1ADAM17 | |
| SCHEMBL27671103 | 0.73 | LMNA (0.42) | CES2CES1ALDH1A1LMNAGSR | |
| SCHEMBL4456759 | 0.72 | CES2 (0.50) | CES2CES1ALDH1A1LMNATDP1 |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0812538-B1 | Preservative compositions | ANGUS CHEMICAL (US) | 2001-01-03 | — | — | EP | claimed |
| EP-0812538-A1 | Preservative compositions | GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) | 1997-12-17 | — | — | EP | claimed |
| US-5661104-A | ANTIMICROBIAL AMOUNT OF B-BROMO-B-NITROSTYRENE AND INERT BIODEGRADABLE CARRIER OF BENZYL ESTER OF C2-4 CARBOXYLIC ACID | GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) | 1997-08-26 | — | — | US | claimed |
| EP-0398795-B1 | Aqueous isothiazolone formulation | KATAYAMA CHEMICAL WORKS CO (JP) | 1996-03-27 | — | — | EP | claimed |
| EP-0398795-A2 | Aqueous isothiazolone formulation | KATAYAMA CHEMICAL, INC. (JP) | 1990-11-22 | — | — | EP | claimed |
| CN-114805044-A | Novel method for synthesizing dibromo compound | 兰州大学 | 2022-07-29 | — | — | CN | disclosed |
| EP-0812538-B1 | Preservative compositions | ANGUS CHEMICAL (US) | 2001-01-03 | — | — | EP | disclosed |
| EP-0812538-A1 | Preservative compositions | GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) | 1997-12-17 | — | — | EP | disclosed |
| US-5661104-A | ANTIMICROBIAL AMOUNT OF B-BROMO-B-NITROSTYRENE AND INERT BIODEGRADABLE CARRIER OF BENZYL ESTER OF C2-4 CARBOXYLIC ACID | GIVAUDAN-ROURE (INTERNATIONAL) SA (CH) | 1997-08-26 | — | — | US | disclosed |
| US-5591759-A | ANTISEPTIC, ANTIFUNGAL TREATMENT | KATAYAMA CHEMICAL, INC. (JP) | 1997-01-07 | — | — | US | disclosed |
| EP-0398795-B1 | Aqueous isothiazolone formulation | KATAYAMA CHEMICAL WORKS CO (JP) | 1996-03-27 | — | — | EP | disclosed |
| US-5015660-A | Bactericides, fungicides using 4,5-dichloro-1,2-dithiol-3-one and bromonitrostyrene | YOSHITAMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1991-05-14 | — | — | US | disclosed |
| EP-0398795-A2 | Aqueous isothiazolone formulation | KATAYAMA CHEMICAL, INC. (JP) | 1990-11-22 | — | — | EP | disclosed |
| EP-0370429-A2 | Microbicidal/microbistatic composition for industrial use and method of using the same | YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) | 1990-05-30 | — | — | EP | disclosed |