Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GABRA1 | P14867 | 1/20 | 0.52 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.40 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.40 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.40 |
| ▸ | PNMT | P11086 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | P2RX7 | Q99572 | 2/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | ALOX12 | P18054 | 1/20 | 0.37 |
| ▸ | AOC3 | Q16853 | 1/20 | 0.36 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | IDO1 | P14902 | 1/20 | 0.35 |
| ▸ | RORC | P51449 | 1/20 | 0.35 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.35 |
| ▸ | NFKB1 | P19838 | 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 | |
|---|---|---|---|---|
| SCHEMBL22781148 | 0.84 | GABRA1 (0.62) | GABRA1GABRB2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL31575331 | 0.84 | SLC6A2 (0.50) | ALDH1A1SLC6A2SLC6A4SLC6A3PNMT | |
| SCHEMBL31575350 | 0.84 | ALDH1A1 (0.41) | GABRA1GABRB2ALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL5018770 | 0.81 | PNMT (0.56) | GABRA1GABRB2ALDH1A1SLC6A2SLC6A4 | |
| SCHEMBL30435689 | 0.80 | SLC6A2 (0.53) | GABRA1GABRB2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL196980 | 0.80 | SLC6A2 (0.53) | GABRA1GABRB2SLC6A2SLC6A4SLC6A3 | |
| Phosphine SCHEMBL25198379 | 0.78 | SLC6A2 (0.52) | GABRA1GABRB2SLC6A2SLC6A4SLC6A3 | |
| SCHEMBL11677650 | 0.78 | GABRA1 (0.56) | GABRA1GABRB2 | |
| SCHEMBL724659 | 0.78 | ALDH1A1 (0.46) | ALDH1A1SLC6A2SLC6A4SLC6A3PNMT | |
| SCHEMBL8244665 | 0.78 | GABRA1 (0.50) | GABRA1GABRB2SLC6A2SLC6A4SLC6A3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020190119-A1 | HETEROARYL DERIVATIVE, METHOD FOR PRODUCING SAME, AND PHARMACEUTICAL COMPOSITION COMPRISING SAME AS EFFECTIVE COMPONENT | 주식회사 보로노이 | 2020-09-24 | — | — | WO | disclosed |
| EP-1053990-A2 | A method of producing an aromatic ketone and an aromatic ketone composition containing it | TORAY INDUSTRIES, INC. (JP) | 2000-11-22 | — | — | EP | disclosed |