Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2A6 | P11509 | 2/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 3/20 | 0.47 |
| ▸ | TTR | P02766 | 1/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | LMNA | P02545 | 1/20 | 0.42 |
| ▸ | ALDH1A3 | P47895 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 1/20 | 0.42 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.41 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.39 |
| ▸ | LIPG | Q9Y5X9 | 1/20 | 0.39 |
| ▸ | AOX1 | Q06278 | 1/20 | 0.39 |
| ▸ | DHODH | Q02127 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| Benzaldehyde SCHEMBL28454798 | 0.89 | TTR (0.55) | CYP2A6TTRALDH1A1LMNANPSR1 | |
| SCHEMBL28452075 | 0.85 | SLC6A4 (0.45) | CYP2A6ALDH1A1L3MBTL1LIPG | |
| SCHEMBL5606623 | 0.83 | ALDH1A1 (0.51) | CYP2A6KDM4ETTRALDH1A1SMN1; SMN2 | |
| SCHEMBL17521500 | 0.83 | CYP2A6 (0.47) | CYP2A6KDM4ETTRALDH1A1SMN1; SMN2 | |
| SCHEMBL17521377 | 0.83 | ALDH1A1 (0.45) | CYP2A6KDM4ETTRALDH1A1SMN1; SMN2 | |
| SCHEMBL11509443 | 0.83 | ALDH5A1 (0.47) | CYP2A6KDM4ETTRALDH1A1SMN1; SMN2 | |
| SCHEMBL5607201 | 0.83 | TTR (0.65) | CYP2A6KDM4ETTRALDH1A1LMNA | |
| SCHEMBL446449 | 0.83 | AR (0.47) | ALDH1A1L3MBTL1LIPG | |
| SCHEMBL11130090 | 0.81 | TTR (0.61) | CYP2A6KDM4ETTRALDH1A1SMN1; SMN2 | |
| SCHEMBL25047358 | 0.80 | ALDH1A1 (0.49) | CYP2A6KDM4ETTRALDH1A1SMN1; SMN2 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016019588-A1 | OXACAZONE COMPOUNDS TO TREAT CLOSTRIDIUM DIFFICILE | THE BROAD INSTITUTE, INC. (US) | 2016-02-11 | — | — | WO | disclosed |
| WO-2016019588-A1 | OXACAZONE COMPOUNDS TO TREAT CLOSTRIDIUM DIFFICILE | THE BROAD INSTITUTE, INC. (US) | 2016-02-11 | — | — | WO | disclosed |
| CN-102007095-B | Method for producing optically active cyanohydrin compound | SUMITOMO CHEMICAL CO.,LTD. (JP) | 2014-10-08 | — | — | CN | disclosed |