Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCHR1 | Q99705 | 9/20 | 0.59 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.56 |
| ▸ | LTA4H | P09960 | 1/20 | 0.56 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.56 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.56 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.56 |
| ▸ | HTT | P42858 | 1/20 | 0.56 |
| ▸ | ACACB | O00763 | 1/20 | 0.53 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.50 |
| ▸ | EBP | Q15125 | 1/20 | 0.50 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.50 |
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 | |
|---|---|---|---|---|
| SCHEMBL19642744 | 0.87 | MCHR1 (0.56) | MCHR1CYP1A2LTA4HCYP2D6CYP2C9 | |
| SCHEMBL19644203 | 0.87 | MCHR1 (0.56) | MCHR1CYP1A2LTA4HCYP2D6CYP2C9 | |
| SCHEMBL19644202 | 0.87 | MCHR1 (0.56) | MCHR1CYP1A2LTA4HCYP2D6CYP2C9 | |
| SCHEMBL8252571 | 0.84 | CYP1A2 (0.62) | MCHR1CYP1A2LTA4HCYP2D6CYP2C9 | |
| SCHEMBL19642908 | 0.83 | MCHR1 (0.54) | MCHR1CYP1A2LTA4HCYP2D6CYP2C9 | |
| SCHEMBL4310506 | 0.82 | CYP2D6 (0.60) | MCHR1CYP1A2LTA4HCYP2D6CYP2C9 | |
| Hydrochloric Acid SCHEMBL3498967 | 0.81 | CYP2D6 (0.59) | MCHR1CYP1A2LTA4HCYP2D6CYP2C9 | |
| SCHEMBL11496467 | 0.80 | SLC6A4 (0.53) | CYP1A2LTA4HCYP2D6CYP2C19SIGMAR1 | |
| SCHEMBL9706125 | 0.79 | EBP (0.72) | MCHR1CYP1A2LTA4HCYP2D6CYP2C9 | |
| SCHEMBL28296170 | 0.79 | SLC6A4 (0.69) | CYP1A2LTA4HCYP2D6CYP2C19SIGMAR1 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017205451-A1 | NOVEL FUNCTIONALIZED N,N-DIALKYLAMINO PHENYL ETHERS AND THEIR METHOD OF USE | TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2017-11-30 | — | — | WO | claimed |
| WO-2017205451-A1 | NOVEL FUNCTIONALIZED N,N-DIALKYLAMINO PHENYL ETHERS AND THEIR METHOD OF USE | TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2017-11-30 | — | — | WO | disclosed |