Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | OR51E2 | Q9H255 | 1/20 | 0.31 |
| ▸ | CRBN | Q96SW2 | 2/20 | 0.31 |
| ▸ | LMNA | P02545 | 1/20 | 0.31 |
| ▸ | TSHR | P16473 | 1/20 | 0.31 |
| ▸ | PARP1 | P09874 | 1/20 | 0.30 |
| ▸ | FKBP5 | Q13451 | 1/20 | 0.30 |
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 | |
|---|---|---|---|---|
| SCHEMBL17228391 | 0.85 | OR51E2 (0.34) | ALDH1A1PKMOR51E2CRBNFKBP5 | |
| SCHEMBL24567493 | 0.85 | SRD5A1 (0.35) | ALDH1A1PKM | |
| SCHEMBL13847312 | 0.80 | SRD5A1 (0.37) | ALDH1A1CRBN | |
| SCHEMBL1672296 | 0.79 | ALDH1A1 (0.44) | ALDH1A1PKMOR51E2CRBNLMNA | |
| SCHEMBL7263026 | 0.79 | ALDH1A1 (0.42) | ALDH1A1PKMOR51E2CRBNLMNA | |
| SCHEMBL10655463 | 0.77 | ALDH1A1 (0.42) | ALDH1A1PKMOR51E2CRBNLMNA | |
| SCHEMBL20959501 | 0.77 | ALDH1A1 (0.42) | ALDH1A1PKMLMNATSHRPARP1 | |
| SCHEMBL20980365 | 0.77 | ALDH1A1 (0.42) | ALDH1A1PKMLMNATSHRPARP1 | |
| SCHEMBL1005944 | 0.77 | ALDH1A1 (0.42) | ALDH1A1PKMLMNATSHRPARP1 | |
| SCHEMBL796903 | 0.77 | ALDH1A1 (0.42) | ALDH1A1PKMLMNATSHRPARP1 |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5013836-A | Process for methylating a hindered nitrogen atom in a polysubstituted diazacycloalkan-2-one | THE B. F. GOODRICH COMPANY (US) | 1991-05-07 | — | — | US | disclosed |