Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.55 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | CA2 | P00918 | 5/20 | 0.48 |
| ▸ | CA1 | P00915 | 3/20 | 0.47 |
| ▸ | POLB | P06746 | 3/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 2/20 | 0.46 |
| ▸ | MEN1 | O00255 | 1/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.46 |
| ▸ | MCL1 | Q07820 | 1/20 | 0.46 |
| ▸ | SAE1 | Q9UBE0 | 1/20 | 0.46 |
| ▸ | UBA2 | Q9UBT2 | 1/20 | 0.46 |
| ▸ | CA12 | O43570 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | APAF1 | O14727 | 1/20 | 0.42 |
| ▸ | NSD2 | O96028 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.42 |
| ▸ | TP53 | P04637 | 1/20 | 0.41 |
| ▸ | PTGS2 | P35354 | 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 | |
|---|---|---|---|---|
| SCHEMBL10047304 | 0.86 | ALDH1A1 (0.64) | ALDH1A1KMT2ALMNACA2CA1 | |
| SCHEMBL12444207 | 0.86 | ALDH1A1 (0.64) | ALDH1A1KMT2ALMNACA2CA1 | |
| SCHEMBL10222825 | 0.84 | ALDH1A1 (0.51) | ALDH1A1KMT2ALMNACA2CA1 | |
| SCHEMBL1933484 | 0.82 | ALDH1A1 (0.69) | ALDH1A1KMT2ALMNACA2CA1 | |
| SCHEMBL984789 | 0.82 | ALDH1A1 (0.69) | ALDH1A1KMT2ALMNACA2CA1 | |
| SCHEMBL12699925 | 0.82 | ALDH1A1 (0.69) | ALDH1A1KMT2ALMNACA2CA1 | |
| SCHEMBL1933186 | 0.81 | ALDH1A1 (0.67) | ALDH1A1KMT2ALMNACA2POLB | |
| SCHEMBL1933183 | 0.81 | ALDH1A1 (0.67) | ALDH1A1KMT2ALMNACA2POLB | |
| SCHEMBL3104931 | 0.81 | ALDH1A1 (0.67) | ALDH1A1KMT2ALMNACA2POLB | |
| SCHEMBL1573970 | 0.81 | ALDH1A1 (0.49) | ALDH1A1KMT2ALMNACA2CA1 |
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-2020061247-A1 | (R) ENANTIOMER OF APLEXONE | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2020-03-26 | — | — | WO | disclosed |