Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.43 |
| ▸ | GAA | P10253 | 2/20 | 0.43 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | GABRP | O00591 | 2/20 | 0.37 |
| ▸ | GABRD | O14764 | 2/20 | 0.37 |
| ▸ | GABRA1 | P14867 | 2/20 | 0.37 |
| ▸ | GABRB1 | P18505 | 2/20 | 0.37 |
| ▸ | GABRG2 | P18507 | 2/20 | 0.37 |
| ▸ | GABRB3 | P28472 | 2/20 | 0.37 |
| ▸ | GABRA5 | P31644 | 2/20 | 0.37 |
| ▸ | GABRA3 | P34903 | 2/20 | 0.37 |
| ▸ | GABRA2 | P47869 | 2/20 | 0.37 |
| ▸ | GABRB2 | P47870 | 2/20 | 0.37 |
| ▸ | GABRA4 | P48169 | 2/20 | 0.37 |
| ▸ | GABRE | P78334 | 2/20 | 0.37 |
| ▸ | GABRA6 | Q16445 | 2/20 | 0.37 |
| ▸ | GABRG1 | Q8N1C3 | 2/20 | 0.37 |
| ▸ | GABRG3 | Q99928 | 2/20 | 0.37 |
| ▸ | GABRQ | Q9UN88 | 2/20 | 0.37 |
| ▸ | HCAR2 | Q8TDS4 | 3/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL27795694 | 1.00 | ALDH1A1 (0.43) | ALDH1A1GAATAAR1GABRPGABRD | |
| SCHEMBL28831624 | 0.83 | ALDH1A1 (0.43) | ALDH1A1GAATAAR1GABRPGABRD | |
| SCHEMBL27795730 | 0.79 | HCAR2 (0.46) | ALDH1A1HCAR2TSHRKMT2ATDP1 | |
| SCHEMBL10400866 | 0.77 | ALDH1A1 (0.63) | ALDH1A1GAATAAR1GABRPGABRD | |
| SCHEMBL16328856 | 0.77 | ALDH1A1 (0.63) | ALDH1A1GAATAAR1GABRPGABRD | |
| SCHEMBL3072110 | 0.77 | — | — | |
| SCHEMBL3072108 | 0.77 | — | — | |
| SCHEMBL8907621 | 0.75 | TAAR1 (0.37) | ALDH1A1GAATAAR1GABRPGABRD | |
| SCHEMBL31097879 | 0.73 | ALDH1A1 (0.41) | ALDH1A1GAATAAR1GABRPGABRD | |
| SCHEMBL15053536 | 0.73 | ALDH1A1 (0.41) | ALDH1A1GAATAAR1GABRPGABRD |
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 |
|---|---|---|---|---|---|---|---|
| US-5663411-A | (+)2-benzoyl-3-[(prop-2(S)-yl)amino]acrylate derivatives and a method for the preparation of the same | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 1997-09-02 | — | — | US | disclosed |
| US-5539110-A | Method for the preparation of (-)piperazine benzoxazine derivatives | KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) | 1996-07-23 | — | — | US | disclosed |