Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.55 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.55 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.55 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.55 |
| ▸ | KMT2A | Q03164 | 7/20 | 0.49 |
| ▸ | MEN1 | O00255 | 1/20 | 0.49 |
| ▸ | NPC1 | O15118 | 1/20 | 0.44 |
| ▸ | LMNA | P02545 | 3/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.41 |
| ▸ | PAX8 | Q06710 | 1/20 | 0.40 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL17997014 | 0.84 | ALDH1A1 (0.64) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL9108227 | 0.80 | ALDH1A1 (0.77) | ALDH1A1KMT2AMEN1NPC1LMNA | |
| SCHEMBL14445803 | 0.79 | ALDH1A1 (0.58) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL5334338 | 0.79 | ALDH1A1 (0.58) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL16874960 | 0.78 | ALDH1A1 (0.56) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL3198374 | 0.78 | ALDH1A1 (0.56) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL14879973 | 0.78 | ALDH1A1 (0.56) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL5672462 | 0.78 | ALDH1A1 (0.56) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL564467 | 0.77 | ALDH1A1 (0.64) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A | |
| SCHEMBL232719 | 0.77 | ALDH1A1 (0.55) | ALDH1A1CYP2C19CYP3A4CYP2C9KMT2A |
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-5417959-A | Functionalized aza-crytand ligands for diagnostic imaging applications | MALLINCKRODT MEDICAL, INC. (US) | 1995-05-23 | — | — | US | disclosed |
| WO-1995010217-A2 | FUNCTIONALIZED AZA-CRYPTAND LIGANDS FOR IMAGING APPLICATIONS | MALLINCKRODT MEDICAL, INC. (US) | 1995-04-20 | — | — | WO | disclosed |