Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.75 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.75 |
| ▸ | HSD17B1 | P14061 | 4/20 | 0.72 |
| ▸ | MAPT | P10636 | 3/20 | 0.72 |
| ▸ | LMNA | P02545 | 2/20 | 0.72 |
| ▸ | RECQL | P46063 | 1/20 | 0.72 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.72 |
| ▸ | STS | P08842 | 8/20 | 0.70 |
| ▸ | ABCC4 | O15439 | 1/20 | 0.70 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.70 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.70 |
| ▸ | SLCO1B1 | Q9Y6L6 | 1/20 | 0.70 |
| ▸ | ESR1 | P03372 | 2/20 | 0.67 |
| ▸ | ESR2 | Q92731 | 2/20 | 0.67 |
| ▸ | CA1 | P00915 | 2/20 | 0.67 |
| ▸ | CA2 | P00918 | 2/20 | 0.67 |
| ▸ | CA9 | Q16790 | 2/20 | 0.67 |
| ▸ | CA4 | P22748 | 1/20 | 0.67 |
| ▸ | CA6 | P23280 | 1/20 | 0.67 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.66 |
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 | |
|---|---|---|---|---|
| SCHEMBL6691697 | 0.92 | HSD17B1 (0.74) | KDM4EALDH1A1HSD17B1MAPTLMNA | |
| SCHEMBL10134113 | 0.92 | HSD17B1 (0.74) | KDM4EALDH1A1HSD17B1MAPTLMNA | |
| SCHEMBL14377634 | 0.90 | KDM4E (0.72) | KDM4EALDH1A1HSD17B1MAPTLMNA | |
| SCHEMBL7755033 | 0.90 | HSD17B1 (0.74) | KDM4EALDH1A1HSD17B1MAPTLMNA | |
| SCHEMBL14044784 | 0.90 | HSD17B1 (0.74) | KDM4EALDH1A1HSD17B1MAPTLMNA | |
| SCHEMBL11672003 | 0.90 | HSD17B1 (0.74) | KDM4EALDH1A1HSD17B1MAPTLMNA | |
| SCHEMBL6696320 | 0.89 | HSD17B1 (0.77) | KDM4EALDH1A1HSD17B1MAPTLMNA | |
| SCHEMBL8152986 | 0.88 | KDM4E (0.69) | KDM4EALDH1A1HSD17B1MAPTLMNA | |
| SCHEMBL11671118 | 0.87 | HSD17B1 (0.78) | KDM4EALDH1A1HSD17B1MAPTLMNA | |
| SCHEMBL5527434 | 0.87 | HSD17B1 (0.78) | KDM4EALDH1A1HSD17B1MAPTLMNA |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0356454-B1 | CYCLIC HYDROCARBONS WITH AN AMINOALKYL SIDECHAIN | THE UPJOHN COMPANY (US) | 1992-06-17 | — | — | EP | disclosed |
| US-5001234-A | Cyclic hydrocarbons with an aminoalkyl sidechain | THE UPJOHN COMPANY (US) | 1991-03-19 | — | — | US | disclosed |
| EP-0356454-A1 | CYCLIC HYDROCARBONS WITH AN AMINOALKYL SIDECHAIN. | UPJOHN CO (US) | 1990-03-07 | — | — | EP | disclosed |
| WO-1988008002-A1 | CYCLIC HYDROCARBONS WITH AN AMINOALKYL SIDECHAIN | THE UPJOHN COMPANY (US) | 1988-10-20 | — | — | WO | disclosed |