Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PKM | P14618 | 1/20 | 0.58 |
| ▸ | GPR55 | Q9Y2T6 | 1/20 | 0.58 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.49 |
| ▸ | MITF | O75030 | 1/20 | 0.48 |
| ▸ | HPGD | P15428 | 4/20 | 0.46 |
| ▸ | MEN1 | O00255 | 3/20 | 0.46 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.46 |
| ▸ | LMNA | P02545 | 2/20 | 0.46 |
| ▸ | TP53 | P04637 | 1/20 | 0.46 |
| ▸ | HSP90AA1 | P07900 | 1/20 | 0.46 |
| ▸ | ATM | Q13315 | 1/20 | 0.46 |
| ▸ | NPC1 | O15118 | 3/20 | 0.46 |
| ▸ | RAB9A | P51151 | 3/20 | 0.46 |
| ▸ | TLR9 | Q9NR96 | 1/20 | 0.46 |
| ▸ | MAPT | P10636 | 4/20 | 0.45 |
| ▸ | HTT | P42858 | 2/20 | 0.45 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.45 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.45 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.45 |
| ▸ | BRAF | P15056 | 1/20 | 0.43 |
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 | |
|---|---|---|---|---|
| SCHEMBL11564525 | 0.86 | MEN1 (0.54) | PKMGPR55ALDH1A1MITFHPGD | |
| SCHEMBL4173088 | 0.82 | TRPA1 (0.50) | PKMGPR55ALDH1A1HPGDKMT2A | |
| SCHEMBL4173087 | 0.82 | TRPA1 (0.50) | PKMGPR55ALDH1A1HPGDKMT2A | |
| SCHEMBL4173091 | 0.82 | TRPA1 (0.50) | PKMGPR55ALDH1A1HPGDKMT2A | |
| SCHEMBL29289232 | 0.81 | PKM (0.52) | PKMGPR55ALDH1A1HPGDMEN1 | |
| SCHEMBL11563469 | 0.81 | PKM (0.52) | PKMGPR55ALDH1A1HPGDMEN1 | |
| SCHEMBL4179281 | 0.80 | ALDH1A1 (0.43) | PKMALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL11564974 | 0.80 | MAPT (0.54) | PKMGPR55ALDH1A1MITFHPGD | |
| SCHEMBL4179284 | 0.80 | ALDH1A1 (0.43) | PKMALDH1A1HPGDMEN1KMT2A | |
| SCHEMBL4179275 | 0.80 | ALDH1A1 (0.43) | PKMALDH1A1HPGDMEN1KMT2A |
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-4162321-A | Sulphur-containing amino-dihydropyridines, and their use as medicants | BAYER AKTIENGESELLSCHAFT (DE) | 1979-07-24 | — | — | US | disclosed |