Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.66 |
| ▸ | MAPT | P10636 | 2/20 | 0.66 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.66 |
| ▸ | TSHR | P16473 | 2/20 | 0.66 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.66 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.66 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.66 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.66 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.66 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.66 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.66 |
| ▸ | THPO | P40225 | 1/20 | 0.66 |
| ▸ | MTOR | P42345 | 1/20 | 0.66 |
| ▸ | BLM | P54132 | 1/20 | 0.66 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.66 |
| ▸ | LMNA | P02545 | 1/20 | 0.66 |
| ▸ | TP53 | P04637 | 1/20 | 0.66 |
| ▸ | GAA | P10253 | 1/20 | 0.66 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.64 |
| ▸ | HTR1A | P08908 | 9/20 | 0.63 |
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 | |
|---|---|---|---|---|
| SCHEMBL6131882 | 0.86 | SIGMAR1 (0.60) | ALDH1A1SMN1; SMN2SIGMAR1HTR1AKDM4E | |
| SCHEMBL1550578 | 0.84 | SIGMAR1 (0.61) | ALDH1A1MAPTSMN1; SMN2TSHRTDP1 | |
| Hydrochloric Acid SCHEMBL1101114 | 0.83 | SIGMAR1 (0.60) | ALDH1A1MAPTSMN1; SMN2TSHRTDP1 | |
| SCHEMBL1099109 | 0.81 | SIGMAR1 (0.58) | ALDH1A1MAPTSMN1; SMN2TSHRTDP1 | |
| Hydrochloric Acid SCHEMBL1099233 | 0.81 | ALDH1A1 (0.57) | ALDH1A1MAPTSMN1; SMN2TSHRTDP1 | |
| SCHEMBL1550891 | 0.81 | ALDH1A1 (0.57) | ALDH1A1MAPTSMN1; SMN2TSHRTDP1 | |
| SCHEMBL6131810 | 0.80 | ADRA1D (0.55) | HTR1ADRD2HTR2AHTR2C | |
| SCHEMBL3976547 | 0.80 | ALDH1A1 (1.00) | ALDH1A1MAPTSMN1; SMN2TSHRTDP1 | |
| SCHEMBL31513986 | 0.80 | ALDH1A1 (1.00) | ALDH1A1MAPTSMN1; SMN2TSHRTDP1 | |
| Hydrochloric Acid SCHEMBL1100029 | 0.80 | ALDH1A1 (0.56) | ALDH1A1MAPTSMN1; SMN2TSHRTDP1 |
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-1032559-A4 | AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS | AVENTIS PHARMA INC (US) | 2005-05-25 | — | — | EP | disclosed |
| EP-1032559-A1 | AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS | AVENTIS PHARMACEUTICALS INC. (US) | 2000-09-06 | — | — | EP | disclosed |
| WO-1999016746-A1 | AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS | AVENTIS PHARMACEUTICALS INC. (US) | 1999-04-08 | — | — | WO | disclosed |