Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.54 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.54 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.54 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.51 |
| ▸ | NPBWR1 | P48145 | 1/20 | 0.51 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.49 |
| ▸ | RAB9A | P51151 | 1/20 | 0.49 |
| ▸ | ADRA1D | P25100 | 1/20 | 0.47 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.47 |
| ▸ | ADRA1B | P35368 | 1/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.47 |
| ▸ | ATM | Q13315 | 1/20 | 0.47 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | GALR3 | O60755 | 1/20 | 0.43 |
| ▸ | NR2F2 | P24468 | 1/20 | 0.43 |
| ▸ | HTT | P42858 | 1/20 | 0.43 |
| ▸ | MEN1 | O00255 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8922600 | 0.80 | ADRA1D (0.57) | ALDH1A1KDM4ETDP1SMN1; SMN2NPBWR1 | |
| SCHEMBL8924282 | 0.79 | ADRA1D (0.58) | ALDH1A1KDM4ETDP1SMN1; SMN2NPBWR1 | |
| SCHEMBL8923620 | 0.78 | ADRA1D (0.74) | ALDH1A1KDM4ETDP1SMN1; SMN2NPBWR1 | |
| SCHEMBL8924712 | 0.76 | ADRA1D (0.51) | ALDH1A1KDM4ETDP1SMN1; SMN2NPBWR1 | |
| SCHEMBL8922883 | 0.75 | ADRA1D (0.56) | ALDH1A1KDM4ETDP1SMN1; SMN2NPBWR1 | |
| SCHEMBL8923441 | 0.75 | KMT2A (0.56) | ALDH1A1KDM4ETDP1SMN1; SMN2NPBWR1 | |
| Hydrochloric Acid SCHEMBL8924233 | 0.75 | ADRA1D (0.55) | ALDH1A1KDM4ETDP1SMN1; SMN2NPBWR1 | |
| SCHEMBL8926051 | 0.72 | ALDH1A1 (0.49) | ALDH1A1KDM4ETDP1SMN1; SMN2NPBWR1 | |
| SCHEMBL8923833 | 0.71 | ADRA1D (0.63) | ALDH1A1KDM4ETDP1SMN1; SMN2NPBWR1 | |
| SCHEMBL8922909 | 0.69 | ADRA1D (0.88) | ALDH1A1KDM4ETDP1SMN1; SMN2NPBWR1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5624961-A | Benzylaminoethoxybenzene derivatives, production thereof and use thereof | JAPAN TOBACCO INC. (JP) | 1997-04-29 | — | — | US | disclosed |
| EP-0693474-A1 | NOVEL BENZYLAMINOETHOXYBENZENE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF | Toyo Boseki Kabushiki Kaisha (JP) | 1996-01-24 | — | — | EP | disclosed |
| CN-1114644-A | Novel benzylaminoethoxybenzene derivatives, production thereof and use thereof | TOYO BOSEKI (JP) | 1996-01-10 | — | — | CN | disclosed |