Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 2/20 | 0.41 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.38 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.38 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 1/20 | 0.36 |
| ▸ | CA2 | P00918 | 2/20 | 0.36 |
| ▸ | CA1 | P00915 | 1/20 | 0.36 |
| ▸ | CA7 | P43166 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | HCAR1 | Q9BXC0 | 1/20 | 0.33 |
| ▸ | CD44 | P16070 | 1/20 | 0.32 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL12253731 | 0.83 | GABRA1 (0.56) | GABRA1GABRB2ALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL10658090 | 0.81 | GABRA1 (0.39) | GABRA1GABRB2ALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL29932856 | 0.81 | TAS2R14 (0.40) | GABRA1GABRB2ALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL8118306 | 0.81 | TAS2R14 (0.40) | GABRA1GABRB2ALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL16379353 | 0.79 | GABRA1 (0.47) | GABRA1GABRB2ALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL8164803 | 0.78 | ALDH1A1 (0.53) | GABRA1GABRB2ALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL62013 | 0.78 | — | — | |
| Cyanide SCHEMBL27932755 | 0.76 | ALDH1A1 (0.46) | GABRA1GABRB2ALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL12925871 | 0.76 | TSHR (0.50) | GABRA1GABRB2ALDH1A1CYP2A6CYP1A2 | |
| SCHEMBL126987 | 0.75 | ALDH1A1 (0.50) | GABRA1GABRB2ALDH1A1CYP2A6CYP1A2 |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4694057-A | Preparation of polymers containing pendant isocyanate groups and derivatives thereof by emulsion copolymerization | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1987-09-15 | — | — | US | disclosed |
| EP-0194222-A2 | Preparation of polymers containing pendant isocyanate groups and derivatives thereof by emulsion copolymerization | THE GOODYEAR TIRE & RUBBER COMPANY (US) | 1986-09-10 | — | — | EP | disclosed |
| US-4288607-A | USEFUL IN UNSATURATED POLYESTERS AND AS FIRE RETARDANTS | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) | 1981-09-08 | — | — | US | disclosed |
| US-4212996-A | USING AN IRON OR ALUMINUM MASKING (COMPLEXING) AGENT CONTAINING AMINOACETIC ACID GROUPS | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) | 1980-07-15 | — | — | US | disclosed |
| US-4152511-A | FIRE-RETARDANT MOLDING MATERIALS CONTAINING CHLORINE OR BROMINE | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) | 1979-05-01 | — | — | US | disclosed |
| US-4119612-A | Polymeric and oligomeric formals | DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) | 1978-10-10 | — | — | US | disclosed |
| US-4107104-A | TETRABROMOXYLENEDIOL - FLAME-RETARDANT FOR POLYURETHANES | ETHYL CORPORATION (US) | 1978-08-15 | — | — | US | disclosed |
| US-3947494-A | HEAVY METAL CATALYST, OXIDATION OF XYLENES | STANDARD OIL COMPANY (US) | 1976-03-30 | — | — | US | disclosed |