Predicted protein targets (top 5)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MCL1 | Q07820 | 3/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL2123286 | 0.79 | POLB (0.33) | ALDH1A1TDP1POLB | |
| SCHEMBL8144900 | 0.72 | ALDH1A1 (0.42) | MCL1ALDH1A1TDP1POLB | |
| SCHEMBL12326607 | 0.67 | MCL1 (0.67) | MCL1ALDH1A1TDP1CYP1A2POLB | |
| SCHEMBL15090426 | 0.65 | MCL1 (0.49) | MCL1ALDH1A1TDP1CYP1A2POLB | |
| SCHEMBL229947 | 0.64 | POLB (0.45) | MCL1ALDH1A1TDP1POLB | |
| Methane SCHEMBL27610739 | 0.63 | ALDH1A1 (0.36) | ALDH1A1TDP1POLB | |
| Formaldehyde SCHEMBL27537213 | 0.63 | MCL1 (0.47) | MCL1ALDH1A1TDP1CYP1A2POLB | |
| SCHEMBL23986724 | 0.62 | ALDH1A1 (0.37) | ALDH1A1TDP1POLB | |
| SCHEMBL180129 | 0.61 | ALDH1A1 (0.54) | MCL1ALDH1A1TDP1CYP1A2POLB | |
| SCHEMBL290879 | 0.61 | ALDH1A1 (0.54) | MCL1ALDH1A1TDP1CYP1A2POLB |
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 |
|---|---|---|---|---|---|---|---|
| CN-1248569-A | Novel ketone | GIVAUDAN ROURE INTERNATION SA (CH) | 2000-03-29 | — | — | CN | disclosed |