Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP17A1 | P05093 | 2/20 | 0.41 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.40 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | CFTR | P13569 | 1/20 | 0.38 |
| ▸ | PSMD14 | O00487 | 1/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.36 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.36 |
| ▸ | FAAH | O00519 | 1/20 | 0.36 |
| ▸ | MGLL | Q99685 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.35 |
| ▸ | MAPK8 | P45983 | 1/20 | 0.35 |
| ▸ | MAPK9 | P45984 | 1/20 | 0.35 |
| ▸ | MAPK10 | P53779 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | RXFP1 | Q9HBX9 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL6993763 | 0.99 | CYP17A1 (0.41) | CYP17A1MAP2K1HSD17B10ALDH1A1CFTR | |
| Hydrochloric Acid SCHEMBL5618484 | 0.84 | CYP17A1 (0.38) | CYP17A1ALDH1A1KDM4EFAAHMGLL | |
| SCHEMBL6988534 | 0.80 | FAAH (0.39) | HSD17B10ALDH1A1CFTRTDP1FAAH | |
| SCHEMBL6990946 | 0.79 | CA12 (0.42) | CYP17A1CYP1A2CYP2C19 | |
| Hydrochloric Acid SCHEMBL6990615 | 0.79 | FAAH (0.39) | HSD17B10ALDH1A1CFTRTDP1FAAH | |
| SCHEMBL5618398 | 0.78 | CYP17A1 (0.49) | CYP17A1ALDH1A1KDM4EFAAHMGLL | |
| Hydrochloric Acid SCHEMBL6994883 | 0.77 | CYP17A1 (0.44) | CYP17A1ALDH1A1KDM4EFAAHMGLL | |
| Hydrochloric Acid SCHEMBL6993842 | 0.76 | CYP17A1 (0.40) | CYP17A1HSD17B10ALDH1A1KDM4EFAAH | |
| Hydrochloric Acid SCHEMBL6992470 | 0.75 | CYP17A1 (0.41) | CYP17A1HSD17B10ALDH1A1TDP1KDM4E | |
| SCHEMBL5618133 | 0.74 | HIF1A (0.42) | HSD17B10ALDH1A1KDM4EFAAHMGLL |
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-1162957-A | Isoxazole derivatives | SANKYO CO (JP) | 1997-10-22 | — | — | CN | disclosed |