Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 2/20 | 0.63 |
| ▸ | GAA | P10253 | 1/20 | 0.59 |
| ▸ | HTT | P42858 | 2/20 | 0.50 |
| ▸ | BACE1 | P56817 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | CYP2A13 | Q16696 | 1/20 | 0.49 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.47 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.47 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.47 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 2/20 | 0.47 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.47 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 1/20 | 0.46 |
| ▸ | DAO | P14920 | 2/20 | 0.45 |
| ▸ | LMNA | P02545 | 1/20 | 0.45 |
| ▸ | TP53 | P04637 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| Bromide SCHEMBL11030447 | 0.98 | TAAR1 (0.61) | TAAR1GAAHTTBACE1KDM4E | |
| Hydrochloric Acid SCHEMBL14719130 | 0.98 | TAAR1 (0.61) | TAAR1GAAHTTBACE1KDM4E | |
| SCHEMBL27977720 | 0.82 | TAAR1 (0.52) | TAAR1GAAHTTCYP2A13CYP1A2 | |
| SCHEMBL30776827 | 0.81 | TAAR1 (0.63) | TAAR1GAAHTTBACE1KDM4E | |
| SCHEMBL601569 | 0.81 | TAAR1 (0.63) | TAAR1GAAHTTBACE1KDM4E | |
| Hydrochloric Acid SCHEMBL1018673 | 0.79 | TAAR1 (0.50) | TAAR1GAAHTTCYP2A13CYP1A2 | |
| Bromide SCHEMBL580313 | 0.79 | TAAR1 (0.43) | TAAR1GAAHTTBACE1KDM4E | |
| Bromide SCHEMBL11029879 | 0.79 | TAAR1 (0.50) | TAAR1GAAHTTCYP2A13CYP1A2 | |
| SCHEMBL24686248 | 0.79 | TAAR1 (0.61) | TAAR1GAAHTTBACE1KDM4E | |
| SCHEMBL3040407 | 0.79 | TAAR1 (0.61) | TAAR1GAAHTTBACE1KDM4E |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117304191-A | Fused pyrazine derivatives as A2A/A2B inhibitors | 因赛特公司 | 2023-12-29 | — | — | CN | disclosed |
| CN-113166153-A | Fused pyrazine derivatives as A2A/A2B inhibitors | 因赛特公司 | 2021-07-23 | — | — | CN | disclosed |