Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.41 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.41 |
| ▸ | TSHR | P16473 | 1/20 | 0.41 |
| ▸ | ENPP3 | O14638 | 2/20 | 0.39 |
| ▸ | ENPP1 | P22413 | 2/20 | 0.39 |
| ▸ | ENPP2 | Q13822 | 2/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.39 |
| ▸ | POLB | P06746 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | PKM | P14618 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | ATM | Q13315 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ADORA3 | P0DMS8 | 1/20 | 0.36 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CNR1 | P21554 | 2/20 | 0.36 |
| ▸ | CNR2 | P34972 | 2/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL2410263 | 0.83 | ALDH1A1 (0.43) | ALDH1A1CYP3A4TSHRENPP3ENPP1 | |
| SCHEMBL11171926 | 0.83 | ALDH1A1 (0.45) | ALDH1A1CYP3A4TSHRENPP3ENPP1 | |
| SCHEMBL7215095 | 0.81 | ALDH1A1 (0.43) | ALDH1A1CYP3A4TSHRENPP3ENPP1 | |
| SCHEMBL20129169 | 0.80 | ALDH1A1 (0.42) | ALDH1A1CYP3A4TSHRENPP3ENPP1 | |
| SCHEMBL15103285 | 0.76 | CYP2D6 (0.43) | ALDH1A1CYP3A4TSHRCYP2D6CYP1A2 | |
| SCHEMBL10930946 | 0.75 | POLB (0.57) | ALDH1A1TSHRPOLBKDM4ETP53 | |
| SCHEMBL499873 | 0.75 | CYP2D6 (0.44) | ALDH1A1CYP3A4TSHRENPP3ENPP1 | |
| SCHEMBL20129163 | 0.75 | ALDH1A1 (0.41) | ALDH1A1CYP3A4TSHRENPP3ENPP1 | |
| SCHEMBL6728930 | 0.75 | ENPP3 (0.49) | ALDH1A1CYP3A4TSHRENPP3ENPP1 | |
| SCHEMBL23192021 | 0.75 | CYP2D6 (0.61) | ALDH1A1CYP3A4TSHRENPP3ENPP1 |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-58146559-A | — | — | None | — | — | JP | disclosed |
| JP-S58146559-A | SULFONIUM DERIVATIVE | TAIHO YAKUHIN KOGYO KK | 1983-09-01 | — | — | JP | disclosed |