Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | EPHX1 | P07099 | 1/20 | 0.36 |
| ▸ | HDAC7 | Q8WUI4 | 1/20 | 0.35 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.35 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.35 |
| ▸ | HDAC9 | Q9UKV0 | 1/20 | 0.35 |
| ▸ | HDAC5 | Q9UQL6 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.35 |
| ▸ | CA2 | P00918 | 1/20 | 0.35 |
| ▸ | TAS1R3 | Q7RTX0 | 6/20 | 0.35 |
| ▸ | TAS1R1 | Q7RTX1 | 6/20 | 0.35 |
| ▸ | CTSK | P43235 | 3/20 | 0.35 |
| ▸ | CHRM1 | P11229 | 1/20 | 0.34 |
| ▸ | AKR1A1 | P14550 | 1/20 | 0.34 |
| ▸ | CHRM3 | P20309 | 1/20 | 0.34 |
| ▸ | HTR2A | P28223 | 1/20 | 0.34 |
| ▸ | HTR2C | P28335 | 1/20 | 0.34 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.34 |
| ▸ | HRH1 | P35367 | 1/20 | 0.34 |
| ▸ | DRD3 | P35462 | 1/20 | 0.34 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL8865351 | 0.82 | MMP1 (0.35) | EPHX1CA1CA2CTSKTSHR | |
| SCHEMBL11364745 | 0.81 | CAD (0.37) | HDAC7HDAC8HDAC6HDAC9HDAC5 | |
| SCHEMBL6006436 | 0.80 | EPHX1 (0.32) | EPHX1HDAC7HDAC8HDAC6HDAC9 | |
| SCHEMBL28279224 | 0.77 | CTSK (0.41) | EPHX1HDAC7HDAC8HDAC6HDAC9 | |
| SCHEMBL2847929 | 0.76 | TSHR (0.45) | HDAC7HDAC8HDAC6HDAC9HDAC5 | |
| SCHEMBL20860864 | 0.76 | ALDH1A1 (0.45) | HDAC7HDAC8HDAC6HDAC9HDAC5 | |
| SCHEMBL11982683 | 0.76 | ALDH1A1 (0.44) | EPHX1HDAC7HDAC8HDAC6HDAC9 | |
| SCHEMBL16240316 | 0.76 | ZDHHC7 (0.38) | EPHX1HDAC7HDAC8HDAC6HDAC9 | |
| SCHEMBL15961884 | 0.76 | ALDH1A1 (0.44) | EPHX1HDAC7HDAC8HDAC6HDAC9 | |
| SCHEMBL10389666 | 0.76 | GAA (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5700946-A | ONE STEP CATALYTIC DEHYDROGENATION PROCESS OF N-(1-ALKOXYALKYL) COMPOUND | NIPPON SHOKUBAI CO., LTD. (JP) | 1997-12-23 | — | — | US | disclosed |