Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HPRT1 | P00492 | 3/20 | 0.56 |
| ▸ | TDP1 | Q9NUW8 | 3/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.48 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.48 |
| ▸ | CYP2A6 | P11509 | 1/20 | 0.48 |
| ▸ | TSHR | P16473 | 1/20 | 0.48 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.47 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.46 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.46 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.46 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | ACP3 | P15309 | 1/20 | 0.43 |
| ▸ | ATM | Q13315 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | HPGD | P15428 | 1/20 | 0.42 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.41 |
| ▸ | CYP1B1 | Q16678 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL29972613 | 0.98 | HPRT1 (0.58) | HPRT1TDP1ALDH1A1HSD17B10CYP2A6 | |
| SCHEMBL2528231 | 0.98 | HPRT1 (0.58) | HPRT1TDP1ALDH1A1HSD17B10CYP2A6 | |
| SCHEMBL574431 | 0.98 | HPRT1 (0.58) | HPRT1TDP1ALDH1A1HSD17B10CYP2A6 | |
| Ammonia Solution, Strong SCHEMBL7978053 | 0.87 | CYP1A2 (0.57) | TDP1ALDH1A1HSD17B10CYP1A2CYP2C19 | |
| Methane SCHEMBL27919184 | 0.85 | CYP1A2 (0.55) | TDP1ALDH1A1HSD17B10CYP1A2CYP2C19 | |
| Iodide SCHEMBL27615489 | 0.85 | CYP1A2 (0.55) | TDP1ALDH1A1HSD17B10CYP2A6TSHR | |
| SCHEMBL30365968 | 0.85 | CYP1A2 (0.59) | TDP1ALDH1A1HSD17B10CYP1A2CYP2C19 | |
| SCHEMBL47 | 0.85 | CYP1A2 (0.59) | TDP1ALDH1A1HSD17B10CYP1A2CYP2C19 | |
| SCHEMBL9765554 | 0.85 | AKR1B1 (0.45) | HPRT1TDP1ALDH1A1HSD17B10PAX8 | |
| SCHEMBL10484179 | 0.84 | HPRT1 (0.56) | HPRT1TDP1ALDH1A1HSD17B10CYP2A6 |
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-105287461-A | Use of hypoaporphine alkaloid derivatives for preparing medicaments for promoting AMPK activity | ZIYUANTANG BIOTECHNOLOGY CO LTD | 2016-02-03 | — | — | CN | disclosed |