Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP1A2 | P05177 | 4/20 | 0.50 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | NR2E1 | Q9Y466 | 4/20 | 0.49 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.47 |
| ▸ | ADRB2 | P07550 | 4/20 | 0.47 |
| ▸ | ADRB1 | P08588 | 4/20 | 0.47 |
| ▸ | SIGMAR1 | Q99720 | 4/20 | 0.47 |
| ▸ | SLC6A4 | P31645 | 3/20 | 0.47 |
| ▸ | HTR2B | P41595 | 3/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.47 |
| ▸ | ADRB3 | P13945 | 3/20 | 0.47 |
| ▸ | HTR2A | P28223 | 3/20 | 0.47 |
| ▸ | HTR2C | P28335 | 3/20 | 0.47 |
| ▸ | HTR6 | P50406 | 3/20 | 0.47 |
| ▸ | SCN1A | P35498 | 2/20 | 0.47 |
| ▸ | SLC10A1 | Q14973 | 2/20 | 0.47 |
| ▸ | SCN2A | Q99250 | 2/20 | 0.47 |
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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL10571109 | 0.98 | CYP1A2 (0.48) | CYP1A2MEN1KMT2AKDM4ECYP2C19 | |
| SCHEMBL10566475 | 0.82 | MEN1 (0.46) | MEN1KMT2A | |
| SCHEMBL10569785 | 0.82 | SLC6A2 (0.49) | MEN1KMT2ASLC6A4SLC6A2 | |
| SCHEMBL10565736 | 0.79 | LTA4H (0.49) | — | |
| SCHEMBL10569675 | 0.78 | RXRB (0.44) | — | |
| SCHEMBL10571482 | 0.78 | LTA4H (0.48) | — | |
| Hydrochloric Acid SCHEMBL10570035 | 0.78 | SLC6A2 (0.48) | SLC6A4SLC6A2 | |
| Oxalic Acid SCHEMBL10569000 | 0.77 | SLC6A3 (0.53) | SLC6A4SLC6A2 | |
| Hydrochloric Acid SCHEMBL10571524 | 0.76 | SLC6A2 (0.47) | SLC6A4SLC6A2 | |
| SCHEMBL6700346 | 0.75 | SLC6A3 (0.46) | CYP1A2CYP2D6SLC6A4SLC6A2 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0279707-A2 | Aryloxymethyl derivatives of nitrogenous heterocyclic methanols and ethers thereof having cardiovascular activity | A.H. ROBINS COMPANY, INCORPORATED (US) | 1988-08-24 | — | — | EP | claimed |