Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.41 |
| ▸ | HPGD | P15428 | 7/20 | 0.41 |
| ▸ | MEN1 | O00255 | 2/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.41 |
| ▸ | TP53 | P04637 | 2/20 | 0.41 |
| ▸ | MTHFD1 | P11586 | 1/20 | 0.40 |
| ▸ | MTHFD2 | P13995 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 2/20 | 0.39 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.38 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.38 |
| ▸ | HSP90AA1 | P07900 | 2/20 | 0.38 |
| ▸ | HSP90AB1 | P08238 | 2/20 | 0.38 |
| ▸ | GRM5 | P41594 | 1/20 | 0.38 |
| ▸ | PTGS1 | P23219 | 1/20 | 0.38 |
| ▸ | SNCA | P37840 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | RECQL | P46063 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 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 | |
|---|---|---|---|---|
| SCHEMBL8434898 | 1.00 | ALDH1A1 (0.41) | ALDH1A1HPGDMEN1KMT2ATP53 | |
| SCHEMBL8435004 | 1.00 | ALDH1A1 (0.41) | ALDH1A1HPGDMEN1KMT2ATP53 | |
| Hydrochloric Acid SCHEMBL8435441 | 0.99 | ALDH1A1 (0.41) | ALDH1A1HPGDMEN1KMT2ATP53 | |
| Hydrochloric Acid SCHEMBL8438126 | 0.99 | ALDH1A1 (0.41) | ALDH1A1HPGDMEN1KMT2ATP53 | |
| Hydrochloric Acid SCHEMBL8435447 | 0.99 | ALDH1A1 (0.41) | ALDH1A1HPGDMEN1KMT2ATP53 | |
| SCHEMBL8439613 | 0.92 | LSS (0.44) | KMT2AMTHFD1MTHFD2CYP2D6HSP90AB1 | |
| SCHEMBL8439610 | 0.92 | LSS (0.44) | KMT2AMTHFD1MTHFD2CYP2D6HSP90AB1 | |
| SCHEMBL8434410 | 0.92 | ALDH1A1 (0.41) | ALDH1A1HPGDMEN1KMT2ATP53 | |
| SCHEMBL8436361 | 0.92 | ALDH1A1 (0.41) | ALDH1A1HPGDMEN1KMT2ATP53 | |
| SCHEMBL8434406 | 0.92 | ALDH1A1 (0.41) | ALDH1A1HPGDMEN1KMT2ATP53 |
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 |