Predicted protein targets (top 6)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 5/20 | 0.63 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.62 |
| ▸ | HPGD | P15428 | 1/20 | 0.62 |
| ▸ | LMNA | P02545 | 8/20 | 0.60 |
| ▸ | MAPT | P10636 | 3/20 | 0.56 |
| ▸ | POLB | P06746 | 2/20 | 0.56 |
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 | |
|---|---|---|---|---|
| SCHEMBL29150793 | 0.90 | TP53 (0.60) | TP53ALDH1A1HPGDLMNAMAPT | |
| SCHEMBL5784422 | 0.86 | TP53 (0.63) | TP53ALDH1A1HPGDLMNAMAPT | |
| SCHEMBL10716438 | 0.82 | NOTUM (0.61) | TP53ALDH1A1HPGDLMNAMAPT | |
| SCHEMBL702130 | 0.80 | HPGD (0.69) | TP53ALDH1A1HPGDLMNA | |
| SCHEMBL16494462 | 0.80 | HPGD (0.69) | TP53ALDH1A1HPGDLMNA | |
| SCHEMBL11174895 | 0.79 | ALDH1A1 (0.68) | TP53ALDH1A1HPGDPOLB | |
| SCHEMBL15712623 | 0.79 | HPGD (0.68) | TP53ALDH1A1HPGDLMNA | |
| SCHEMBL30679189 | 0.79 | HPGD (0.68) | TP53ALDH1A1HPGDLMNA | |
| SCHEMBL20424462 | 0.78 | SMN1; SMN2 (0.60) | TP53ALDH1A1HPGDLMNAMAPT | |
| SCHEMBL6840331 | 0.78 | ALDH1A1 (0.66) | TP53ALDH1A1HPGDLMNAMAPT |
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 |
|---|---|---|---|---|---|---|---|
| WO-1993012754-A2 | TERTIARY AND SECONDARY AMINES AS ALPHA-2 ANTAGONISTS AND SEROTONIN UPTAKE INHIBITORS | ABBOTT LABORATORIES (US) | 1993-07-08 | — | — | WO | disclosed |