Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.56 |
| ▸ | CYP2A6 | P11509 | 2/20 | 0.54 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | ALDH5A1 | P51649 | 1/20 | 0.44 |
| ▸ | ABAT | P80404 | 1/20 | 0.44 |
| ▸ | UNG | P13051 | 1/20 | 0.44 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.41 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.41 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | HTT | P42858 | 1/20 | 0.41 |
| ▸ | GFER | P55789 | 1/20 | 0.41 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.41 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | CES1 | P23141 | 1/20 | 0.41 |
| ▸ | AKT1 | P31749 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.40 |
| ▸ | PARP3 | Q9Y6F1 | 1/20 | 0.40 |
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 SCHEMBL27303989 | 0.93 | ALDH1A1 (0.64) | ALDH1A1CYP2A6KMT2AMEN1ALDH5A1 | |
| SCHEMBL15901558 | 0.82 | ALDH1A1 (0.60) | ALDH1A1CYP2A6KMT2AALDH5A1ABAT | |
| SCHEMBL9867565 | 0.82 | ALDH1A1 (0.60) | ALDH1A1CYP2A6KMT2AALDH5A1ABAT | |
| SCHEMBL31674561 | 0.82 | ALDH1A1 (0.60) | ALDH1A1CYP2A6KMT2AALDH5A1ABAT | |
| SCHEMBL1745723 | 0.82 | UNG (0.63) | ALDH1A1CYP2A6KMT2AMEN1UNG | |
| SCHEMBL3566302 | 0.81 | HSD17B10 (0.67) | ALDH1A1ALDH5A1ABATHSD17B10MAPT | |
| SCHEMBL894135 | 0.81 | MEN1 (0.65) | ALDH1A1KMT2AMEN1TDP1HSD17B10 | |
| SCHEMBL8383017 | 0.80 | ALDH1A1 (0.56) | ALDH1A1KMT2AMEN1MAPK1TDP1 | |
| SCHEMBL18678667 | 0.80 | ALDH1A1 (0.64) | ALDH1A1CYP2A6KMT2AMEN1UNG | |
| SCHEMBL1047541 | 0.80 | ALDH1A1 (0.64) | ALDH1A1CYP2A6KMT2AMEN1UNG |
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-2016019588-A1 | OXACAZONE COMPOUNDS TO TREAT CLOSTRIDIUM DIFFICILE | THE BROAD INSTITUTE, INC. (US) | 2016-02-11 | — | — | WO | disclosed |