Predicted protein targets (top 14)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SIGMAR1 | Q99720 | 2/20 | 0.35 |
| ▸ | GAA | P10253 | 1/20 | 0.35 |
| ▸ | TSHR | P16473 | 2/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | ELANE | P08246 | 1/20 | 0.34 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.34 |
| ▸ | AMPD2 | Q01433 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.33 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL1189331 | 0.80 | GAA (0.39) | SIGMAR1GAATSHRELANEAMPD2 | |
| SCHEMBL25593877 | 0.78 | ACHE (0.39) | GAAELANEAMPD2 | |
| SCHEMBL16765385 | 0.78 | ACHE (0.39) | GAAELANEAMPD2 | |
| SCHEMBL15532563 | 0.76 | SIGMAR1 (0.44) | SIGMAR1GAAELANEALOX12 | |
| SCHEMBL3537599 | 0.74 | SIGMAR1 (0.51) | SIGMAR1GAATSHRCYP3A4CYP2D6 | |
| SCHEMBL8176842 | 0.73 | GAA (0.41) | SIGMAR1GAATSHRELANEMEN1 | |
| SCHEMBL15532660 | 0.72 | ALOX5 (0.38) | SIGMAR1GAAELANEALOX12 | |
| SCHEMBL14894773 | 0.71 | ALOX5 (0.37) | SIGMAR1GAACYP3A4ELANEMEN1 | |
| SCHEMBL21910025 | 0.70 | MAPT (0.39) | GAATSHRELANEMEN1KMT2A | |
| SCHEMBL14813540 | 0.69 | GAA (0.44) | SIGMAR1GAATSHRCYP3A4CYP2D6 |
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 |
|---|---|---|---|---|---|---|---|
| US-5017573-A | Serotonin receptor antagonist | DAINIPPON PHARMACEUTICAL CO., LTD. (JP) | 1991-05-21 | — | — | US | disclosed |