Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | POLB | P06746 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.40 |
| ▸ | GAA | P10253 | 2/20 | 0.40 |
| ▸ | TAS1R3 | Q7RTX0 | 1/20 | 0.40 |
| ▸ | TAS1R1 | Q7RTX1 | 1/20 | 0.40 |
| ▸ | TAAR1 | Q96RJ0 | 1/20 | 0.39 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | GRIN2D | O15399 | 1/20 | 0.37 |
| ▸ | GRIN3B | O60391 | 1/20 | 0.37 |
| ▸ | GRIN1 | Q05586 | 1/20 | 0.37 |
| ▸ | GRIN2A | Q12879 | 1/20 | 0.37 |
| ▸ | GRIN2B | Q13224 | 1/20 | 0.37 |
| ▸ | GRIN2C | Q14957 | 1/20 | 0.37 |
| ▸ | GRIN3A | Q8TCU5 | 1/20 | 0.37 |
| ▸ | SIGMAR1 | Q99720 | 1/20 | 0.37 |
| ▸ | HDAC3 | O15379 | 1/20 | 0.37 |
| ▸ | HDAC4 | P56524 | 1/20 | 0.37 |
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 | |
|---|---|---|---|---|
| SCHEMBL24635664 | 0.85 | DHFR (0.36) | ALDH1A1POLBMAPTGAATAS1R3 | |
| SCHEMBL24635646 | 0.85 | GABRA1 (0.33) | ALDH1A1POLBMAPTGAATAS1R3 | |
| SCHEMBL15325737 | 0.80 | TAS1R3 (0.51) | ALDH1A1POLBMAPTGAATAS1R3 | |
| SCHEMBL24315973 | 0.80 | ALDH1A1 (0.42) | ALDH1A1POLBMAPTGAATAS1R3 | |
| SCHEMBL30316736 | 0.79 | ALDH1A1 (0.46) | ALDH1A1POLBMAPTGAATAS1R3 | |
| SCHEMBL8097565 | 0.79 | ALDH1A1 (0.46) | ALDH1A1POLBMAPTGAATAS1R3 | |
| SCHEMBL19038256 | 0.79 | ALDH1A1 (0.46) | ALDH1A1POLBMAPTGAATAS1R3 | |
| SCHEMBL27360925 | 0.78 | MAPT (0.45) | ALDH1A1MAPTGAATAAR1SLC6A2 | |
| SCHEMBL12674140 | 0.77 | KDM4E (0.46) | ALDH1A1POLBMAPTGAATAS1R3 | |
| SCHEMBL17467884 | 0.77 | POLB (0.46) | ALDH1A1POLBMAPTGAATAS1R3 |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022226408-A1 | NOVEL ERGOLINES AND METHODS OF TREATING MOOD DISORDERS | GILGAMESH PHARMACEUTICALS, INC. (US) | 2022-10-27 | — | — | WO | disclosed |