Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.52 |
| ▸ | NPC1 | O15118 | 3/20 | 0.50 |
| ▸ | HTT | P42858 | 2/20 | 0.49 |
| ▸ | RAB9A | P51151 | 3/20 | 0.47 |
| ▸ | PPARG | P37231 | 2/20 | 0.47 |
| ▸ | PPARA | Q07869 | 2/20 | 0.47 |
| ▸ | MAPT | P10636 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.43 |
| ▸ | LMNA | P02545 | 2/20 | 0.43 |
| ▸ | MEN1 | O00255 | 1/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.43 |
| ▸ | PPARD | Q03181 | 1/20 | 0.43 |
| ▸ | EPHX2 | P34913 | 1/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | MDM2 | Q00987 | 1/20 | 0.42 |
| ▸ | NOS3 | P29474 | 1/20 | 0.42 |
| ▸ | NOS1 | P29475 | 1/20 | 0.42 |
| ▸ | NOS2 | P35228 | 1/20 | 0.42 |
| ▸ | MAOA | P21397 | 1/20 | 0.42 |
| ▸ | MAOB | P27338 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL3796731 | 0.92 | ALDH1A1 (0.49) | ALDH1A1NPC1HTTRAB9APPARG | |
| SCHEMBL2673394 | 0.85 | ALDH1A1 (0.50) | ALDH1A1NPC1PPARGPPARAMAPT | |
| SCHEMBL3537302 | 0.85 | ALDH1A1 (0.51) | ALDH1A1NPC1HTTRAB9APPARG | |
| SCHEMBL4595262 | 0.83 | ALDH1A1 (0.50) | ALDH1A1NPC1HTTRAB9APPARG | |
| SCHEMBL9767859 | 0.83 | SLC6A2 (0.51) | ALDH1A1NPC1HTTRAB9AMAPT | |
| SCHEMBL2153012 | 0.83 | ALDH1A1 (0.50) | ALDH1A1NPC1HTTRAB9APPARG | |
| SCHEMBL1066220 | 0.83 | ALDH1A1 (0.50) | ALDH1A1NPC1HTTRAB9APPARG | |
| SCHEMBL11444938 | 0.83 | ALDH1A1 (0.50) | ALDH1A1NPC1HTTRAB9APPARG | |
| Hydrochloric Acid SCHEMBL3986125 | 0.82 | ALDH1A1 (0.49) | ALDH1A1NPC1HTTRAB9APPARG | |
| Hydrochloric Acid SCHEMBL1066219 | 0.82 | ALDH1A1 (0.49) | ALDH1A1NPC1HTTRAB9APPARG |
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-5013354-A | Tetrahydrophthalimido group, herbicides | BASF AKTIENGESELLSCHAFT (DE) | 1991-05-07 | — | — | US | disclosed |
| EP-0300398-A2 | 3-Phenylpropionic acid derivatives | BASF Aktiengesellschaft (DE) | 1989-01-25 | — | — | EP | disclosed |