Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.42 |
| ▸ | HPGD | P15428 | 4/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.42 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.39 |
| ▸ | GRM5 | P41594 | 3/20 | 0.39 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.39 |
| ▸ | MTHFD1 | P11586 | 1/20 | 0.38 |
| ▸ | MTHFD2 | P13995 | 1/20 | 0.38 |
| ▸ | TP53 | P04637 | 2/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.37 |
| ▸ | LMNA | P02545 | 1/20 | 0.37 |
| ▸ | TSHR | P16473 | 1/20 | 0.37 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.37 |
| ▸ | KCNH2 | Q12809 | 1/20 | 0.37 |
| ▸ | PARP1 | P09874 | 1/20 | 0.37 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.37 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8439941 | 0.99 | ALDH1A1 (0.42) | ALDH1A1HPGDSMN1; SMN2KMT2AGRM5 | |
| SCHEMBL8439061 | 0.94 | ALDH1A1 (0.43) | ALDH1A1HPGDKMT2AGRM5PTGS1 | |
| Hydrochloric Acid SCHEMBL8436197 | 0.93 | ALDH1A1 (0.43) | ALDH1A1HPGDKMT2AGRM5PTGS1 | |
| SCHEMBL8436047 | 0.92 | HPGD (0.42) | ALDH1A1HPGDSMN1; SMN2KMT2AGRM5 | |
| Hydrochloric Acid SCHEMBL8439761 | 0.91 | HPGD (0.42) | ALDH1A1HPGDSMN1; SMN2KMT2AGRM5 | |
| SCHEMBL8436075 | 0.88 | GRM5 (0.43) | GRM5MTHFD1MTHFD2KCNH2 | |
| SCHEMBL8434806 | 0.88 | GAA (0.46) | ALDH1A1HPGDSMN1; SMN2KMT2AGRM5 | |
| Hydrochloric Acid SCHEMBL8438536 | 0.88 | GRM5 (0.42) | GRM5MTHFD1MTHFD2KCNH2 | |
| Hydrochloric Acid SCHEMBL8439163 | 0.87 | GAA (0.45) | ALDH1A1HPGDSMN1; SMN2KMT2AGRM5 | |
| SCHEMBL8437222 | 0.86 | HPGD (0.47) | ALDH1A1HPGDMTHFD1MTHFD2 |
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 |
|---|---|---|---|---|---|---|---|
| US-5998433-A | THERAPY FOR HYPERLIPIDEMIA; ATHEROSCLEROSIS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1999-12-07 | — | — | US | disclosed |
| EP-0785939-A1 | SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS | Takeda Chemical Industries, Ltd. (JP) | 1997-07-30 | — | — | EP | disclosed |
| WO-1996011201-A1 | SUBSTITUTED HETEROBICYCLIC ALKYL AMINES AND THEIR USE AS SQUALENE OXIDE CYCLASE INHIBITORS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1996-04-18 | — | — | WO | disclosed |