Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.68 |
| ▸ | HPGD | P15428 | 1/20 | 0.68 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.58 |
| ▸ | GAA | P10253 | 2/20 | 0.58 |
| ▸ | LMNA | P02545 | 1/20 | 0.54 |
| ▸ | NPC1 | O15118 | 3/20 | 0.51 |
| ▸ | RAB9A | P51151 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 1/20 | 0.51 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | PLAU | P00749 | 1/20 | 0.49 |
| ▸ | GSK3B | P49841 | 1/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | CA12 | O43570 | 1/20 | 0.49 |
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 | |
|---|---|---|---|---|
| SCHEMBL5988783 | 0.89 | ALDH1A1 (0.62) | ALDH1A1HPGDKDM4EGAALMNA | |
| SCHEMBL10401087 | 0.86 | ALDH1A1 (0.70) | ALDH1A1HPGDKDM4EGAALMNA | |
| SCHEMBL10959203 | 0.85 | HPGD (0.78) | ALDH1A1HPGDKDM4EGAALMNA | |
| SCHEMBL9813594 | 0.82 | ALDH1A1 (0.74) | ALDH1A1HPGDKDM4EGAALMNA | |
| SCHEMBL283472 | 0.81 | ALDH1A1 (1.00) | ALDH1A1HPGDKDM4EGAALMNA | |
| SCHEMBL734966 | 0.81 | ALDH1A1 (0.72) | ALDH1A1HPGDKDM4EGAALMNA | |
| SCHEMBL10597845 | 0.81 | ALDH1A1 (0.63) | ALDH1A1HPGDKDM4EGAALMNA | |
| SCHEMBL21861227 | 0.80 | ALDH1A1 (0.62) | ALDH1A1HPGDKDM4EGAALMNA | |
| SCHEMBL9813593 | 0.80 | ALDH1A1 (0.70) | ALDH1A1HPGDKDM4EGAALMNA | |
| SCHEMBL10879439 | 0.80 | ALDH1A1 (0.70) | ALDH1A1HPGDKDM4EGAALMNA |
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 |
|---|---|---|---|---|---|---|---|
| EP-0301751-B1 | PYRIDINIUM DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1993-03-10 | — | — | EP | disclosed |
| US-4962113-A | PLATELET ACTIVATING FACTOR ANTAGONISTS | TAKEDA CHEMICAL INDUSTRIES, LTD (JP) | 1990-10-09 | — | — | US | disclosed |
| EP-0301751-A1 | Pyridinium derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1989-02-01 | — | — | EP | disclosed |