Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP2C19 | P33261 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.43 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.43 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.39 |
| ▸ | CHRM2 | P08172 | 1/20 | 0.38 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.38 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.38 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.38 |
| ▸ | DRD1 | P21728 | 1/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | HTR2A | P28223 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | ADRA1A | P35348 | 1/20 | 0.38 |
| ▸ | HRH1 | P35367 | 1/20 | 0.38 |
| ▸ | OPRK1 | P41145 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
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 SCHEMBL8508810 | 0.77 | CYP2D6 (0.41) | CYP2C19CYP2D6ALDH1A1CHRM2ADRA2A | |
| SCHEMBL267039 | 0.77 | SMN1; SMN2 (0.47) | CYP2C19CYP1A2CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL1794087 | 0.77 | SMN1; SMN2 (0.47) | CYP2C19CYP1A2CYP3A4CYP2C9CYP2D6 | |
| Hydrochloric Acid SCHEMBL11380546 | 0.75 | SMN1; SMN2 (0.45) | CYP2C19CYP1A2CYP3A4CYP2C9CYP2D6 | |
| SCHEMBL4581875 | 0.73 | TSHR (0.40) | ALDH1A1SMN1; SMN2TSHRLMNAMAPK1 | |
| SCHEMBL4647647 | 0.71 | ALDH1A1 (0.45) | CYP2C19CYP1A2CYP3A4CYP2C9MAOA | |
| SCHEMBL229388 | 0.71 | ALDH1A1 (0.45) | CYP2C19CYP1A2CYP3A4CYP2C9MAOA | |
| SCHEMBL29074099 | 0.71 | MEN1 (0.47) | CYP2C19CYP2D6ALDH1A1ADRA2AADRA2B | |
| SCHEMBL9023460 | 0.70 | ADRA2A (0.36) | CYP2C19MAOAMAOBCYP2D6ALDH1A1 | |
| SCHEMBL10144439 | 0.70 | HDAC6 (0.47) | CYP2C19CYP1A2CYP3A4CYP2C9MAOA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0136635-B1 | SECONDARY CELL | HITACHI, LTD. (JP) | 1991-08-14 | — | — | EP | claimed |
| US-4879192-A | RADICAL SCAVENGER OR ADSORBENT TO PREVENT DESTRUCTION OF CONJUGATED DOUBLE BONDS | HITACHI LTD. (JP) | 1989-11-07 | — | — | US | claimed |
| CN-113336730-A | Preparation method and application of 4, 6-dihydroxy-2-phenylbenzofuran | 山东第一医科大学(山东省医学科学院) | 2021-09-03 | — | — | CN | disclosed |