Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | F2 | P00734 | 3/20 | 0.54 |
| ▸ | PRSS1 | P07477 | 3/20 | 0.54 |
| ▸ | PRSS2 | P07478 | 3/20 | 0.54 |
| ▸ | PRSS3 | P35030 | 3/20 | 0.54 |
| ▸ | PKM | P14618 | 3/20 | 0.53 |
| ▸ | CA2 | P00918 | 4/20 | 0.50 |
| ▸ | CA1 | P00915 | 3/20 | 0.50 |
| ▸ | GAA | P10253 | 2/20 | 0.50 |
| ▸ | MMP1 | P03956 | 1/20 | 0.50 |
| ▸ | MMP2 | P08253 | 1/20 | 0.50 |
| ▸ | MMP9 | P14780 | 1/20 | 0.50 |
| ▸ | MMP8 | P22894 | 1/20 | 0.50 |
| ▸ | MMP13 | P45452 | 1/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.49 |
| ▸ | NFE2L2 | Q16236 | 2/20 | 0.47 |
| ▸ | PTGS2 | P35354 | 3/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | PARP1 | P09874 | 1/20 | 0.46 |
| ▸ | PARP10 | Q53GL7 | 1/20 | 0.46 |
| ▸ | PARP2 | Q9UGN5 | 1/20 | 0.46 |
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 | |
|---|---|---|---|---|
| SCHEMBL10982836 | 0.87 | F2 (0.53) | F2PRSS1PRSS2PRSS3PKM | |
| SCHEMBL10982834 | 0.87 | F2 (0.53) | F2PRSS1PRSS2PRSS3PKM | |
| SCHEMBL11562087 | 0.83 | F2 (0.49) | F2PRSS1PRSS2PRSS3PKM | |
| SCHEMBL11562084 | 0.83 | F2 (0.49) | F2PRSS1PRSS2PRSS3PKM | |
| SCHEMBL28270090 | 0.79 | PKM (0.50) | F2PRSS1PRSS2PRSS3PKM | |
| SCHEMBL7379397 | 0.76 | PKM (0.61) | F2PRSS1PRSS2PRSS3PKM | |
| SCHEMBL11563064 | 0.75 | CA1 (0.50) | F2PRSS1PRSS2PRSS3CA2 | |
| SCHEMBL4188150 | 0.75 | NPC1 (0.70) | F2PRSS1PRSS2PRSS3PKM | |
| SCHEMBL11562763 | 0.74 | ALDH1A1 (0.61) | CA2CA1GAAMMP1MMP2 | |
| SCHEMBL28434662 | 0.74 | ALDH1A1 (0.50) | PKMGAAALDH1A1NPC1RAB9A |
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 |