Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 9/20 | 0.77 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.66 |
| ▸ | HPGD | P15428 | 3/20 | 0.64 |
| ▸ | HTT | P42858 | 2/20 | 0.64 |
| ▸ | NPSR1 | Q6W5P4 | 4/20 | 0.62 |
| ▸ | LMNA | P02545 | 3/20 | 0.61 |
| ▸ | PKM | P14618 | 1/20 | 0.57 |
| ▸ | TP53 | P04637 | 2/20 | 0.56 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | THRB | P10828 | 1/20 | 0.54 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.53 |
| ▸ | POLB | P06746 | 1/20 | 0.53 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.53 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.53 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.53 |
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 | |
|---|---|---|---|---|
| SCHEMBL4257057 | 0.89 | ALDH1A1 (0.77) | ALDH1A1SMN1; SMN2HPGDHTTNPSR1 | |
| SCHEMBL3250826 | 0.87 | ALDH1A1 (0.58) | ALDH1A1SMN1; SMN2HTTNPSR1LMNA | |
| SCHEMBL3248337 | 0.86 | ALDH1A1 (0.75) | ALDH1A1SMN1; SMN2HPGDHTTNPSR1 | |
| SCHEMBL3005825 | 0.84 | HPGD (0.78) | ALDH1A1SMN1; SMN2HPGDHTTNPSR1 | |
| SCHEMBL3269150 | 0.78 | ALDH1A1 (1.00) | ALDH1A1SMN1; SMN2HPGDHTTNPSR1 | |
| SCHEMBL3005609 | 0.76 | PKM (0.62) | ALDH1A1SMN1; SMN2HPGDHTTNPSR1 | |
| SCHEMBL2996112 | 0.75 | ALDH1A1 (0.76) | ALDH1A1SMN1; SMN2HPGDHTTNPSR1 | |
| SCHEMBL3003501 | 0.75 | ALDH1A1 (0.60) | ALDH1A1SMN1; SMN2HPGDHTTNPSR1 | |
| SCHEMBL2999401 | 0.75 | ALDH1A1 (0.69) | ALDH1A1SMN1; SMN2HPGDHTTNPSR1 | |
| SCHEMBL3248182 | 0.74 | ALDH1A1 (0.59) | ALDH1A1SMN1; SMN2HPGDHTTNPSR1 |
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-2009006580-A1 | OPTIONALLY CONDENSED DIHYDROPYRIDINE, DIHYDROPYRIMIDINE AND DIHYDROPYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS | CV THERAPEUTICS, INC. (US) | 2009-01-08 | — | — | WO | disclosed |