Predicted protein targets (top 19)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.49 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.49 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.49 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.44 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.44 |
| ▸ | APP | P05067 | 1/20 | 0.41 |
| ▸ | SCN4A | P35499 | 4/20 | 0.40 |
| ▸ | TLR8 | Q9NR97 | 2/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.40 |
| ▸ | RECQL | P46063 | 1/20 | 0.40 |
| ▸ | MCHR1 | Q99705 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | CRHBP | P24387 | 1/20 | 0.35 |
| ▸ | CRHR2 | Q13324 | 1/20 | 0.35 |
| ▸ | ALOX15 | P16050 | 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 | |
|---|---|---|---|---|
| SCHEMBL110055 | 0.81 | ALDH1A1 (0.61) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2B | |
| SCHEMBL5662569 | 0.80 | MEN1 (0.47) | CYP1A2CYP2C9CYP2C19TDP1GAA | |
| SCHEMBL5661462 | 0.80 | MEN1 (0.47) | CYP1A2CYP2C9CYP2C19TDP1GAA | |
| SCHEMBL5661956 | 0.79 | L3MBTL1 (0.46) | ALDH1A1CYP1A2CYP2C9CYP2C19TDP1 | |
| SCHEMBL10629706 | 0.78 | ALDH1A1 (0.57) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2B | |
| SCHEMBL11455939 | 0.76 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2B | |
| Aniline SCHEMBL22169091 | 0.75 | ALDH1A1 (0.53) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2B | |
| SCHEMBL294963 | 0.74 | ALDH1A1 (0.61) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2B | |
| SCHEMBL10321701 | 0.73 | ALDH1A1 (0.55) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2B | |
| Hydrochloric Acid SCHEMBL27993085 | 0.72 | ALDH1A1 (0.59) | ALDH1A1CYP1A2CYP2C9CYP2C19ADRA2B |
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 |
|---|---|---|---|---|---|---|---|
| EP-0362729-A1 | Process for producing water insoluble azo dyes on the fibre | HOECHST AKTIENGESELLSCHAFT (DE) | 1990-04-11 | — | — | EP | disclosed |