Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | GAA | P10253 | 3/20 | 0.54 |
| ▸ | MGAM | O43451 | 1/20 | 0.54 |
| ▸ | SI | P14410 | 1/20 | 0.54 |
| ▸ | MGAM2 | Q2M2H8 | 1/20 | 0.54 |
| ▸ | ALDH1A1 | P00352 | 7/20 | 0.44 |
| ▸ | TRPA1 | O75762 | 1/20 | 0.44 |
| ▸ | PPID | Q08752 | 1/20 | 0.42 |
| ▸ | EGLN1 | Q9GZT9 | 1/20 | 0.41 |
| ▸ | NPC1 | O15118 | 1/20 | 0.40 |
| ▸ | RAB9A | P51151 | 1/20 | 0.40 |
| ▸ | HPGD | P15428 | 1/20 | 0.40 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 4/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.39 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL23561304 | 0.85 | GAA (0.65) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL7434068 | 0.84 | GAA (0.52) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL402057 | 0.83 | GAA (0.50) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL11193860 | 0.79 | GAA (0.46) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL13850724 | 0.79 | — | — | |
| SCHEMBL28014139 | 0.77 | — | — | |
| SCHEMBL12894561 | 0.77 | — | — | |
| SCHEMBL4220135 | 0.77 | PPID (0.54) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL1060092 | 0.77 | CYP1A2 (0.46) | GAAMGAMSIMGAM2ALDH1A1 | |
| SCHEMBL7089973 | 0.76 | GAA (0.61) | GAAMGAMSIMGAM2ALDH1A1 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0747392-B1 | 1,2-Diazepine containing dual action inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2000-11-02 | — | — | EP | disclosed |
| US-5635504-A | Diazepine containing dual action inhibitors | BRISTOL-MYERS SQUIBB CO. (US) | 1997-06-03 | — | — | US | disclosed |
| EP-0747392-A1 | 1,2-Diazepine containing dual action inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 1996-12-11 | — | — | EP | disclosed |