Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.56 |
| ▸ | KDM4E | B2RXH2 | 8/20 | 0.56 |
| ▸ | ATM | Q13315 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.53 |
| ▸ | ACHE | P22303 | 3/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.51 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.51 |
| ▸ | RECQL | P46063 | 1/20 | 0.51 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.50 |
| ▸ | HPGD | P15428 | 1/20 | 0.48 |
| ▸ | GAA | P10253 | 2/20 | 0.48 |
| ▸ | CXCR4 | P61073 | 2/20 | 0.48 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.47 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | BCHE | P06276 | 1/20 | 0.47 |
| ▸ | CXCR3 | P49682 | 1/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL21101331 | 0.86 | ACHE (0.51) | ALDH1A1KDM4EATMKMT2AACHE | |
| SCHEMBL21101178 | 0.83 | ATM (0.62) | ALDH1A1ATMKMT2APOLBSIGMAR1 | |
| SCHEMBL12813718 | 0.83 | KDM1A (0.67) | ALDH1A1KDM4EATM | |
| SCHEMBL12813724 | 0.83 | KDM1A (0.67) | ALDH1A1KDM4EATM | |
| SCHEMBL6944191 | 0.79 | KDM4E (0.63) | ALDH1A1KDM4EATMKMT2APOLB | |
| SCHEMBL15859937 | 0.79 | KDM4E (0.63) | ALDH1A1KDM4EATMKMT2APOLB | |
| SCHEMBL24093483 | 0.78 | ALDH1A1 (0.56) | ALDH1A1KDM4EATMKMT2AACHE | |
| SCHEMBL21101180 | 0.77 | CXCR4 (0.47) | ACHECXCR4CXCR3CHRM1 | |
| SCHEMBL28169202 | 0.77 | CXCR4 (0.68) | ALDH1A1KMT2AACHESIGMAR1CXCR4 | |
| SCHEMBL21100977 | 0.76 | ALDH1A1 (0.52) | ALDH1A1KMT2AACHEPOLBSIGMAR1 |
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-2688568-B1 | CYCLOPROPYLAMINES AS LSD1 INHIBITORS | GLAXOSMITHKLINE IP NO 2 LTD (GB) | 2019-06-19 | — | — | EP | disclosed |