Predicted protein targets (top 15)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.43 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | GBA1 | P04062 | 1/20 | 0.37 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.37 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | ACHE | P22303 | 2/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.36 |
| ▸ | HRH3 | Q9Y5N1 | 1/20 | 0.36 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.35 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.35 |
| ▸ | GSK3A | P49840 | 1/20 | 0.35 |
| ▸ | GSK3B | P49841 | 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 | |
|---|---|---|---|---|
| SCHEMBL4252730 | 0.87 | ALDH1A1 (0.43) | TDP1GAACYP1A2CYP2D6ALDH1A1 | |
| Bromide SCHEMBL7626002 | 0.85 | ALDH1A1 (0.43) | TDP1GAACYP1A2CYP2D6ALDH1A1 | |
| SCHEMBL6937918 | 0.76 | ALDH1A1 (0.41) | GAAALDH1A1MAPTGSK3AGSK3B | |
| SCHEMBL5487478 | 0.74 | — | — | |
| SCHEMBL27488987 | 0.74 | ALDH1A1 (0.46) | CYP1A2CYP2D6ALDH1A1SIGMAR1MAPT | |
| Hydrochloric Acid SCHEMBL7760404 | 0.73 | — | — | |
| Iodide SCHEMBL10615488 | 0.72 | GBA1 (0.33) | GBA1ALDH1A1 | |
| Hydrochloric Acid SCHEMBL6178767 | 0.71 | ALDH1A1 (0.41) | TDP1GAACYP1A2CYP2D6ALDH1A1 | |
| Hydrochloric Acid SCHEMBL9574577 | 0.68 | ALDH1A1 (0.42) | GAACYP1A2CYP2D6ALDH1A1SIGMAR1 | |
| SCHEMBL5015374 | 0.68 | TSHR (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1774435-A | 5-membered heterocyclic derivative | DAIICHI SEIYAKU CO (JP) | 2006-05-17 | — | — | CN | disclosed |