Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.40 |
| ▸ | MAPT | P10636 | 3/20 | 0.40 |
| ▸ | XDH | P47989 | 1/20 | 0.35 |
| ▸ | TYMS | P04818 | 3/20 | 0.34 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.33 |
| ▸ | GABRG2 | P18507 | 1/20 | 0.33 |
| ▸ | GABRB3 | P28472 | 1/20 | 0.33 |
| ▸ | GABRA5 | P31644 | 1/20 | 0.33 |
| ▸ | GABRA3 | P34903 | 1/20 | 0.33 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.33 |
| ▸ | GSK3A | P49840 | 1/20 | 0.33 |
| ▸ | GSK3B | P49841 | 1/20 | 0.33 |
| ▸ | PKM | P14618 | 1/20 | 0.33 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.33 |
| ▸ | CAPN9 | O14815 | 1/20 | 0.33 |
| ▸ | CASP3 | P42574 | 1/20 | 0.33 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.32 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.32 |
| ▸ | GLA | P06280 | 1/20 | 0.32 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.32 |
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 | |
|---|---|---|---|---|
| SCHEMBL8128055 | 0.87 | CYP3A4 (0.39) | ALDH1A1MAPTGABRA1GABRG2GABRB3 | |
| SCHEMBL8118374 | 0.82 | ESPL1 (0.38) | ALDH1A1MAPTCYP3A4CAPN9CASP3 | |
| SCHEMBL8559761 | 0.82 | AKR1B1 (0.40) | ALDH1A1PKMCYP3A4CAPN9CASP3 | |
| SCHEMBL8554584 | 0.80 | CES1 (0.38) | BCHECES1 | |
| SCHEMBL8115079 | 0.79 | ESPL1 (0.38) | ALDH1A1MAPTCYP3A4CAPN9CASP3 | |
| SCHEMBL3672889 | 0.79 | MAPT (0.37) | ALDH1A1MAPTPKMCYP3A4CAPN9 | |
| SCHEMBL3670516 | 0.78 | CA12 (0.40) | ALDH1A1MAPTCYP3A4MAPK1GLA | |
| SCHEMBL3675781 | 0.75 | MAPT (0.48) | ALDH1A1MAPTGRIN2DGRIN3BCYP1A2 | |
| SCHEMBL3678226 | 0.75 | PTPN11 (0.44) | MAPTCAPN9CASP3CYP1A2GRIA1 | |
| SCHEMBL8557868 | 0.74 | CES1 (0.34) | ALDH1A1MAPTTYMSBLMBCHE |
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 |
|---|---|---|---|---|---|---|---|
| EP-0647137-A4 | GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF. | UNIV CALIFORNIA WEBER ECKARD (US) | 1998-09-16 | — | — | EP | disclosed |
| EP-0647137-A1 | GLYCINE RECEPTOR ANTAGONISTS AND THE USE THEREOF | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 1995-04-12 | — | — | EP | disclosed |