Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TSHR | P16473 | 3/20 | 0.35 |
| ▸ | THRB | P10828 | 2/20 | 0.35 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.32 |
| ▸ | CES2 | O00748 | 1/20 | 0.32 |
| ▸ | CTSL | P07711 | 1/20 | 0.32 |
| ▸ | CTSB | P07858 | 1/20 | 0.32 |
| ▸ | GMNN | O75496 | 1/20 | 0.32 |
| ▸ | TP53 | P04637 | 1/20 | 0.32 |
| ▸ | POLB | P06746 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.32 |
| ▸ | BLM | P54132 | 1/20 | 0.32 |
| ▸ | CA2 | P00918 | 1/20 | 0.31 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | GAA | P10253 | 1/20 | 0.31 |
| ▸ | HTT | P42858 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.31 |
| ▸ | DNM1 | Q05193 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL9361496 | 1.00 | TSHR (0.35) | TSHRTHRBHSD17B10CES2CTSL | |
| SCHEMBL3265077 | 0.78 | TSHR (0.41) | TSHRTHRBHSD17B10CES2CTSL | |
| SCHEMBL3409351 | 0.77 | TSHR (0.42) | TSHRTHRBHSD17B10CES2CTSL | |
| SCHEMBL3507116 | 0.77 | — | — | |
| SCHEMBL7188040 | 0.77 | TSHR (0.42) | TSHRTHRBHSD17B10CES2CTSL | |
| SCHEMBL4284127 | 0.77 | TSHR (0.42) | TSHRTHRBHSD17B10CES2CTSL | |
| SCHEMBL6241827 | 0.77 | TSHR (0.42) | TSHRTHRBHSD17B10CES2CTSL | |
| SCHEMBL1873873 | 0.77 | TSHR (0.42) | TSHRTHRBHSD17B10CES2CTSL | |
| SCHEMBL7133112 | 0.77 | TSHR (0.42) | TSHRTHRBHSD17B10CES2CTSL | |
| SCHEMBL9451397 | 0.77 | TSHR (0.42) | TSHRTHRBHSD17B10CES2CTSL |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0594583-A1 | COMPOSITION AND USE OF SUBSTITUTED 3-THIO-2-PROPYNENITRILES AS AN INDUSTRIAL ANTIMICROBIAL | THE DOW CHEMICAL COMPANY (US) | 1994-05-04 | — | — | EP | disclosed |
| EP-0594583-A4 | COMPOSITION AND USE OF SUBSTITUTED 3-THIO-2-PROPYNENITRILES AS AN INDUSTRIAL ANTIMICROBIAL. | DOW CHEMICAL CO (US) | 1993-04-20 | — | — | EP | disclosed |
| US-5198445-A | Microbiocides | THE DOW CHEMICAL COMPANY (US) | 1993-03-30 | — | — | US | disclosed |
| US-5126349-A | Bactericides, fungicides for coatings, cosmetics | THE DOW CHEMICAL COMPANY (US) | 1992-06-30 | — | — | US | disclosed |
| WO-1991011503-A1 | COMPOSITION AND USE OF SUBSTITUTED 3-THIO-2-PROPYNENITRILES AS AN INDUSTRIAL ANTIMICROBIAL | THE DOW CHEMICAL COMPANY (US) | 1991-08-08 | — | — | WO | disclosed |