Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 11/20 | 0.73 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.73 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.65 |
| ▸ | LMNA | P02545 | 4/20 | 0.61 |
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | MAPT | P10636 | 2/20 | 0.56 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.50 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.50 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.50 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.50 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.50 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.50 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.49 |
| ▸ | POLB | P06746 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | THRB | P10828 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL2996112 | 0.89 | ALDH1A1 (0.76) | ALDH1A1KMT2ALMNAPKMMAPT | |
| SCHEMBL3265207 | 0.86 | ALDH1A1 (0.67) | ALDH1A1KMT2AHSD17B10LMNAPKM | |
| SCHEMBL3248337 | 0.85 | ALDH1A1 (0.75) | ALDH1A1KMT2ALMNAPKMMAPT | |
| SCHEMBL4253850 | 0.85 | ALDH1A1 (0.61) | ALDH1A1KMT2AHSD17B10LMNAPKM | |
| SCHEMBL4254692 | 0.83 | ALDH1A1 (0.53) | ALDH1A1KMT2AHSD17B10LMNAPKM | |
| SCHEMBL2998596 | 0.83 | ALDH1A1 (0.58) | ALDH1A1KMT2AHSD17B10LMNAPKM | |
| SCHEMBL4257768 | 0.83 | ALDH1A1 (0.60) | ALDH1A1KMT2AHSD17B10LMNAPKM | |
| SCHEMBL3248182 | 0.82 | ALDH1A1 (0.59) | ALDH1A1KMT2ALMNAPKMMAPT | |
| SCHEMBL3001510 | 0.82 | ALDH1A1 (0.58) | ALDH1A1KMT2ALMNAPKMMAPT | |
| SCHEMBL4264081 | 0.82 | ALDH1A1 (0.58) | ALDH1A1KMT2AHSD17B10LMNAPKM |
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-2010002483-A1 | OPTIONALLY CONDENSED DIHYDRO PYRIDINE, DIHYDROPYRIMIDINE AND DIHYDRO PYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS | CV THERAPEUTICS, INC. (US) | 2010-01-07 | — | — | WO | disclosed |