Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.33 |
| ▸ | GAA | P10253 | 1/20 | 0.32 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.31 |
| ▸ | PPARG | P37231 | 1/20 | 0.31 |
| ▸ | NCOA2 | Q15596 | 1/20 | 0.31 |
| ▸ | NCOA3 | Q9Y6Q9 | 1/20 | 0.31 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NPC1 | O15118 | 1/20 | 0.31 |
| ▸ | RAB9A | P51151 | 1/20 | 0.31 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.31 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.31 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL7764233 | 0.81 | MAPK1 (0.36) | SMN1; SMN2GAAALDH1A1MAPK1 | |
| SCHEMBL10999456 | 0.78 | MAPK1 (0.34) | SMN1; SMN2GAAALDH1A1MAPK1 | |
| SCHEMBL10996357 | 0.76 | MAPK1 (0.37) | SMN1; SMN2GAAALDH1A1NPC1RAB9A | |
| SCHEMBL829258 | 0.72 | ALDH1A1 (0.47) | GAAALDH1A1NPC1KMT2AHSD17B10 | |
| SCHEMBL9086010 | 0.72 | CYP2C19 (0.45) | SMN1; SMN2GAAALDH1A1MEN1NPC1 | |
| SCHEMBL5062656 | 0.72 | ENPP2 (0.36) | ALDH1A1RAB9A | |
| SCHEMBL11603550 | 0.71 | CYP1A2 (0.34) | ALDH1A1MEN1KMT2A | |
| SCHEMBL8056548 | 0.71 | ALDH1A1 (0.46) | GAAALDH1A1NPC1KMT2AHSD17B10 | |
| SCHEMBL11228531 | 0.71 | ALDH1A1 (0.46) | GAAALDH1A1NPC1KMT2AHSD17B10 | |
| SCHEMBL7764225 | 0.71 | MAPK1 (0.36) | ALDH1A1MAPK1 |
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-5464617-A | 1H-2,6a-diazacyclobut(cd)indene-6-carboxylic acid derivatives, antibiotics | HOFFMANN-LA ROCHE INC. (US) | 1995-11-07 | — | — | US | disclosed |
| EP-0671401-A1 | Beta lactames | F. HOFFMANN-LA ROCHE AG (CH) | 1995-09-13 | — | — | EP | disclosed |