Predicted protein targets (top 4)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 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 | |
|---|---|---|---|---|
| SCHEMBL3893036 | 0.82 | — | — | |
| SCHEMBL11654959 | 0.78 | — | — | |
| SCHEMBL3793803 | 0.78 | MEN1 (0.33) | — | |
| SCHEMBL18663428 | 0.77 | CYP1A2 (0.32) | CYP1A2CYP3A4CYP2C9HIF1A | |
| Deanol SCHEMBL7163530 | 0.68 | CYP1A2 (0.33) | CYP1A2CYP3A4CYP2C9HIF1A | |
| SCHEMBL35603 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL2141334 | 0.65 | TSHR (0.39) | — | |
| SCHEMBL4970816 | 0.65 | — | — | |
| SCHEMBL27654650 | 0.65 | — | — | |
| SCHEMBL353354 | 0.64 | ALDH1A1 (0.36) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1092737-B1 | Catalyst composition for the production of a polyurethane resin, and method for producing a polyurethane resin | TOSOH CORP (JP) | 2003-09-24 | — | — | EP | claimed |
| US-4206144-A | N,N-Dialkyl-N-aminoalkyl-N-(amino or nitro)phenylalkyl- and N-methyl-N-[3-(amino or nitro)phenoxy-2-hydroxy-1-propyl]-N,N-bis(3-aminopropyl)quaternary ammonium salts | STERLING DRUG INC. (US) | 1980-06-03 | — | — | US | disclosed |
| US-4146558-A | Azo dyestuff intermediate nitro- or aminobenzenes ring-substituted by a quaternized amine alkyl or amino-alkoxy group | STERLING DRUG INC. (US) | 1979-03-27 | — | — | US | disclosed |
| US-4103092-A | Water-soluble quaternary ammonium non-heterocyclic azo dyestuffs | STERLING DRUG INC. (US) | 1978-07-25 | — | — | US | disclosed |
| US-4065500-A | Water-soluble quaternary ammonium azo dyestuffs | STERLING DRUG INC. (US) | 1977-12-27 | — | — | US | disclosed |
| US-3996282-A | Water-soluble quaternary ammonium dyestuffs | STERLING DRUG INC. (US) | 1976-12-07 | — | — | US | disclosed |
| US-3935182-A | Water-soluble quaternary ammonium heterocyclic azo dyestuffs | STERLING DRUG INC. (US) | 1976-01-27 | — | — | US | disclosed |