Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ATP6V1B1 | P15313 | 1/20 | 0.60 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.45 |
| ▸ | MAPT | P10636 | 2/20 | 0.45 |
| ▸ | DAO | P14920 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.45 |
| ▸ | SRD5A2 | P31213 | 1/20 | 0.45 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.45 |
| ▸ | NT5E | P21589 | 1/20 | 0.43 |
| ▸ | EGFR | P00533 | 1/20 | 0.43 |
| ▸ | PIK3CA | P42336 | 1/20 | 0.43 |
| ▸ | FLT3 | P36888 | 3/20 | 0.42 |
| ▸ | NPC1 | O15118 | 2/20 | 0.42 |
| ▸ | RAB9A | P51151 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 2/20 | 0.42 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.42 |
| ▸ | IDO1 | P14902 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL8343596 | 0.85 | ATP6V1B1 (0.51) | ATP6V1B1CYP2A6KDM4EMAPTDAO | |
| SCHEMBL8343594 | 0.85 | ATP6V1B1 (0.51) | ATP6V1B1CYP2A6KDM4EMAPTDAO | |
| SCHEMBL8343588 | 0.85 | ATP6V1B1 (0.51) | ATP6V1B1CYP2A6KDM4EMAPTDAO | |
| SCHEMBL6291922 | 0.83 | ATP6V1B1 (0.81) | ATP6V1B1CYP2A6KDM4EMAPTDAO | |
| SCHEMBL6291924 | 0.83 | ATP6V1B1 (0.81) | ATP6V1B1CYP2A6KDM4EMAPTDAO | |
| SCHEMBL6291927 | 0.83 | ATP6V1B1 (0.81) | ATP6V1B1CYP2A6KDM4EMAPTDAO | |
| SCHEMBL6065198 | 0.78 | ATP6V1B1 (0.59) | ATP6V1B1CYP2A6KDM4EMAPTDAO | |
| SCHEMBL11060962 | 0.77 | CYP2A6 (0.47) | ATP6V1B1CYP2A6KDM4EMAPTDAO | |
| SCHEMBL11060954 | 0.77 | CYP2A6 (0.47) | ATP6V1B1CYP2A6KDM4EMAPTDAO | |
| SCHEMBL7430866 | 0.77 | CYP2A6 (0.54) | ATP6V1B1CYP2A6KDM4EMAPTDAO |
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-2230312-A1 | Probe compound for detecting and isolating enzymes and means and methods using the same | Helmholtz-Zentrum für Infektionsforschung GmbH (DE) | 2010-09-22 | — | — | EP | disclosed |