Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 10/20 | 0.60 |
| ▸ | LMNA | P02545 | 4/20 | 0.60 |
| ▸ | POLB | P06746 | 2/20 | 0.60 |
| ▸ | USP2 | O75604 | 1/20 | 0.53 |
| ▸ | GAA | P10253 | 1/20 | 0.53 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.51 |
| ▸ | MAPT | P10636 | 1/20 | 0.51 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.51 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.47 |
| ▸ | TSHR | P16473 | 1/20 | 0.47 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | HTT | P42858 | 1/20 | 0.45 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.44 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.44 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.44 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.44 |
| ▸ | THRB | P10828 | 1/20 | 0.44 |
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 | |
|---|---|---|---|---|
| SCHEMBL3006499 | 0.91 | ALDH1A1 (0.62) | ALDH1A1LMNAPOLBKMT2AMAPT | |
| SCHEMBL3010286 | 0.91 | ALDH1A1 (0.61) | ALDH1A1LMNAPOLBKMT2AMAPT | |
| SCHEMBL3000593 | 0.89 | ALDH1A1 (0.57) | ALDH1A1LMNAPOLBUSP2GAA | |
| SCHEMBL3004329 | 0.88 | ALDH1A1 (0.57) | ALDH1A1LMNAPOLBKMT2AMAPT | |
| SCHEMBL3007196 | 0.83 | ALDH1A1 (0.67) | ALDH1A1LMNAPOLBKMT2AMAPT | |
| SCHEMBL3000579 | 0.83 | ALDH1A1 (0.58) | ALDH1A1LMNAPOLBUSP2GAA | |
| SCHEMBL3268171 | 0.82 | ALDH1A1 (0.68) | ALDH1A1LMNAPOLBKMT2AMAPT | |
| SCHEMBL3241234 | 0.82 | ALDH1A1 (0.68) | ALDH1A1LMNAPOLBKMT2AMAPT | |
| SCHEMBL3246503 | 0.82 | ALDH1A1 (0.68) | ALDH1A1LMNAPOLBKMT2AMAPT | |
| SCHEMBL2993874 | 0.81 | ALDH1A1 (0.60) | ALDH1A1LMNAPOLBKMT2AMAPT |
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 2 patents. 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 |
| 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 |