Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMO | Q99835 | 1/20 | 0.49 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.43 |
| ▸ | HPGD | P15428 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.43 |
| ▸ | KCNA5 | P22460 | 1/20 | 0.43 |
| ▸ | FASN | P49327 | 3/20 | 0.43 |
| ▸ | NAMPT | P43490 | 3/20 | 0.42 |
| ▸ | PDE3B | Q13370 | 1/20 | 0.42 |
| ▸ | PDE3A | Q14432 | 1/20 | 0.42 |
| ▸ | POLB | P06746 | 1/20 | 0.41 |
| ▸ | SLC6A7 | Q99884 | 2/20 | 0.41 |
| ▸ | DRD2 | P14416 | 3/20 | 0.41 |
| ▸ | HTR2A | P28223 | 1/20 | 0.41 |
| ▸ | CYP11B2 | P19099 | 2/20 | 0.41 |
| ▸ | CYP11B1 | P15538 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL18409506 | 0.91 | CYP3A4 (0.45) | SMOALDH1A1KDM4EMEN1HPGD | |
| SCHEMBL18409483 | 0.85 | DRD4 (0.50) | ALDH1A1POLBDRD2DRD4DRD3 | |
| SCHEMBL18409495 | 0.82 | KDM4E (0.52) | SMOALDH1A1KDM4EMEN1MAPT | |
| SCHEMBL18409488 | 0.80 | DRD4 (0.48) | ALDH1A1KDM4EDRD2HTR2ACYP11B2 | |
| SCHEMBL18409476 | 0.79 | ALDH1A1 (0.49) | ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL20419759 | 0.76 | ATM (0.49) | ALDH1A1MEN1KMT2A | |
| SCHEMBL18409487 | 0.75 | DRD4 (0.60) | ALDH1A1MAPTDRD2DRD4DRD3 | |
| SCHEMBL18409478 | 0.74 | ALDH1A1 (0.53) | ALDH1A1KDM4EMEN1KMT2A | |
| SCHEMBL20347007 | 0.74 | LMNA (0.67) | ALDH1A1MEN1MAPTKMT2AKCNA5 | |
| SCHEMBL18409479 | 0.74 | ALDH1A1 (0.47) | ALDH1A1KDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017011920-A1 | COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS | THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) | 2017-01-26 | — | — | WO | disclosed |