Predicted protein targets (top 3)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.40 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | IDO1 | P14902 | 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 | |
|---|---|---|---|---|
| SCHEMBL20593189 | 0.81 | LMNA (0.42) | ALDH1A1LMNAIDO1 | |
| SCHEMBL20614240 | 0.81 | LMNA (0.42) | ALDH1A1LMNAIDO1 | |
| SCHEMBL20593188 | 0.81 | LMNA (0.42) | ALDH1A1LMNAIDO1 | |
| SCHEMBL1448105 | 0.79 | ALDH1A1 (0.39) | ALDH1A1LMNAIDO1 | |
| SCHEMBL31290236 | 0.79 | ALDH1A1 (0.39) | ALDH1A1LMNAIDO1 | |
| SCHEMBL15432230 | 0.79 | ALDH1A1 (0.39) | ALDH1A1LMNAIDO1 | |
| SCHEMBL1448109 | 0.79 | ALDH1A1 (0.39) | ALDH1A1LMNAIDO1 | |
| SCHEMBL20614247 | 0.72 | ALDH1A1 (0.42) | ALDH1A1LMNAIDO1 | |
| SCHEMBL9704498 | 0.72 | ALDH1A1 (0.53) | ALDH1A1LMNAIDO1 | |
| SCHEMBL31440847 | 0.72 | ALDH1A1 (0.53) | ALDH1A1LMNAIDO1 |
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-9126988-B2 | Intermediate for preparing a catechol-O-methyltransferase inhibitor | BIAL—PORTELA & CA, S.A. (PT) | 2015-09-08 | — | — | US | disclosed |