Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.42 |
| ▸ | MTHFD2 | P13995 | 4/20 | 0.42 |
| ▸ | MTHFD1 | P11586 | 2/20 | 0.42 |
| ▸ | HPGD | P15428 | 5/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.40 |
| ▸ | POLB | P06746 | 1/20 | 0.39 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.38 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.37 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.37 |
| ▸ | TP53 | P04637 | 1/20 | 0.37 |
| ▸ | DRD4 | P21917 | 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL8440010 | 0.99 | HDAC6 (0.41) | HDAC6MTHFD2MTHFD1HPGDALDH1A1 | |
| SCHEMBL8439848 | 0.94 | ALDH1A1 (0.43) | MTHFD2MTHFD1HPGDALDH1A1POLB | |
| Hydrochloric Acid SCHEMBL8804440 | 0.93 | ALDH1A1 (0.43) | MTHFD2MTHFD1HPGDALDH1A1POLB | |
| Hydrochloric Acid SCHEMBL8439685 | 0.93 | ALDH1A1 (0.43) | MTHFD2MTHFD1HPGDALDH1A1POLB | |
| SCHEMBL27464735 | 0.89 | ALDH1A1 (0.44) | MTHFD2MTHFD1HPGDALDH1A1MEN1 | |
| SCHEMBL8436047 | 0.88 | HPGD (0.42) | MTHFD2MTHFD1HPGDALDH1A1MEN1 | |
| SCHEMBL8439061 | 0.88 | ALDH1A1 (0.43) | MTHFD2MTHFD1HPGDALDH1A1POLB | |
| Hydrochloric Acid SCHEMBL8439761 | 0.87 | HPGD (0.42) | MTHFD2MTHFD1HPGDALDH1A1MEN1 | |
| Hydrochloric Acid SCHEMBL8436197 | 0.87 | ALDH1A1 (0.43) | MTHFD2MTHFD1HPGDALDH1A1POLB | |
| SCHEMBL8437222 | 0.86 | HPGD (0.47) | MTHFD2MTHFD1HPGDALDH1A1POLB |
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 4 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 |
| CN-1160403-A | Substd. heterobicyclic alkyl amines and their use as squalene oxide cyclase inhibitors | TAKEDA CHEMICAL INDUSTRIES LTD (JP) | 1997-09-24 | — | — | CN | 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 |