Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.40 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | CNR1 | P21554 | 1/20 | 0.38 |
| ▸ | CNR2 | P34972 | 1/20 | 0.38 |
| ▸ | NOTUM | Q6P988 | 3/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.37 |
| ▸ | ATM | Q13315 | 1/20 | 0.37 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.35 |
| ▸ | TP53 | P04637 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.35 |
| ▸ | THPO | P40225 | 1/20 | 0.35 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL28832222 | 0.89 | TDP1 (0.51) | ALDH1A1TDP1KDM4EATMHTT | |
| SCHEMBL28299375 | 0.87 | KCNA3 (0.43) | ALDH1A1CNR1CNR2ATMLMNA | |
| SCHEMBL28017893 | 0.86 | ALDH1A1 (0.39) | ALDH1A1TDP1CNR1CNR2NOTUM | |
| SCHEMBL28026010 | 0.86 | ALDH1A1 (0.38) | ALDH1A1TDP1CNR1CNR2ATM | |
| SCHEMBL28825698 | 0.85 | ALDH1A1 (0.36) | ALDH1A1CNR1CNR2ATMLMNA | |
| SCHEMBL28073265 | 0.84 | ALDH1A1 (0.37) | ALDH1A1TDP1CNR1CNR2ATM | |
| SCHEMBL28049253 | 0.83 | LMNA (0.47) | ALDH1A1KDM4EATMMAPTNPSR1 | |
| SCHEMBL28086157 | 0.83 | LMNA (0.51) | ALDH1A1KDM4EATMMAPTNPSR1 | |
| SCHEMBL28030487 | 0.82 | CHRM2 (0.41) | TDP1ATMCHRM3 | |
| Hydrochloric Acid SCHEMBL28314858 | 0.82 | LMNA (0.54) | ALDH1A1KDM4EATMMAPTHTT |
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-102918042-B | 8-methyl-1-phenyl-imidazo [1,5-a ] pyrazine compounds | MERCK SHARP & DOHME B.V. (NL) | 2016-03-09 | — | — | CN | disclosed |