Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 1/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.40 |
| ▸ | MGLL | Q99685 | 2/20 | 0.36 |
| ▸ | PHGDH | O43175 | 1/20 | 0.36 |
| ▸ | HTR1A | P08908 | 1/20 | 0.36 |
| ▸ | NOS1 | P29475 | 1/20 | 0.33 |
| ▸ | CA12 | O43570 | 2/20 | 0.32 |
| ▸ | CA2 | P00918 | 2/20 | 0.32 |
| ▸ | CA9 | Q16790 | 2/20 | 0.32 |
| ▸ | CA1 | P00915 | 1/20 | 0.32 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.32 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | MAPT | P10636 | 1/20 | 0.32 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.32 |
| ▸ | GFER | P55789 | 1/20 | 0.32 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.32 |
| ▸ | PTK2B | Q14289 | 1/20 | 0.32 |
| ▸ | ESR2 | Q92731 | 1/20 | 0.32 |
| ▸ | NCF1 | P14598 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8629808 | 0.85 | — | — | |
| SCHEMBL1069 | 0.85 | — | — | |
| SCHEMBL151183 | 0.85 | CYP1A2 (0.47) | CYP1A2TDP1MGLLPHGDHHTR1A | |
| SCHEMBL577198 | 0.85 | CYP1A2 (0.47) | CYP1A2TDP1MGLLPHGDHHTR1A | |
| SCHEMBL7571225 | 0.85 | CYP1A2 (0.47) | CYP1A2TDP1MGLLPHGDHHTR1A | |
| SCHEMBL565222 | 0.85 | CYP1A2 (0.47) | CYP1A2TDP1MGLLPHGDHHTR1A | |
| N-Methylpiperidine SCHEMBL27754351 | 0.81 | LMNA (0.32) | TDP1MGLLKDM4EMAPTGFER | |
| SCHEMBL23495473 | 0.80 | CYP1A2 (0.44) | CYP1A2TDP1MGLLPHGDHHTR1A | |
| Water SCHEMBL4608135 | 0.80 | — | — | |
| SCHEMBL7197668 | 0.80 | CYP1A2 (0.44) | CYP1A2TDP1MGLLPHGDHHTR1A |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180214857-A1 | N,N,N'-Trimethyl-Bis-(Aminoethyl) Ether and its Derivatives as Catalysts for Polyurethanes | EVONIK OPERATIONS GMBH (DE) | 2018-08-02 | — | — | US | claimed |
| US-9878317-B2 | N,N,N′-trimethyl-bis-(aminoethyl) ether and its derivatives as catalysts for polyurethanes | EVONIK DEGUSSA GMBH (DE) | 2018-01-30 | — | — | US | claimed |