Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.45 |
| ▸ | CA2 | P00918 | 2/20 | 0.45 |
| ▸ | CA4 | P22748 | 1/20 | 0.45 |
| ▸ | CA7 | P43166 | 1/20 | 0.45 |
| ▸ | MAPT | P10636 | 5/20 | 0.39 |
| ▸ | MEN1 | O00255 | 2/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.39 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.39 |
| ▸ | NPSR1 | Q6W5P4 | 2/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | AKR1C3 | P42330 | 1/20 | 0.38 |
| ▸ | GCK | P35557 | 1/20 | 0.38 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.37 |
| ▸ | CA12 | O43570 | 1/20 | 0.37 |
| ▸ | CA9 | Q16790 | 1/20 | 0.37 |
| ▸ | IDO1 | P14902 | 1/20 | 0.36 |
| ▸ | PKM | P14618 | 1/20 | 0.35 |
| ▸ | PTGS2 | P35354 | 1/20 | 0.35 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.35 |
| ▸ | NR4A2 | P43354 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL10983604 | 1.00 | CA1 (0.45) | CA1CA2CA4CA7MAPT | |
| SCHEMBL10986911 | 0.73 | MAPT (0.45) | CA1CA2MAPTMEN1KMT2A | |
| SCHEMBL9315358 | 0.67 | MAPT (0.57) | CA1CA2CA4CA7MAPT | |
| SCHEMBL10982597 | 0.67 | NFKB1 (0.44) | MAPTMEN1KMT2ANPSR1LMNA | |
| SCHEMBL11349428 | 0.64 | MAPT (0.47) | MAPTMEN1KMT2AMAPK1NPSR1 | |
| SCHEMBL4225010 | 0.64 | KIF11 (0.53) | CA1CA2MAPTKMT2ACA12 | |
| SCHEMBL11564392 | 0.64 | AKR1C3 (0.48) | CA1CA2CA4CA7MEN1 | |
| 2-Thiophenenecarboxaldehyde SCHEMBL29274359 | 0.64 | HCAR2 (0.44) | MAPTMEN1KMT2ANPSR1LMNA | |
| SCHEMBL11564387 | 0.64 | AKR1C3 (0.48) | CA1CA2CA4CA7MEN1 | |
| SCHEMBL833633 | 0.64 | LMNA (0.50) | CA1CA2CA4CA7MAPT |
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 |
|---|---|---|---|---|---|---|---|
| US-4551467-A | Vasodilating cyanoalkyl esters of 1,4-dihydropyridines | BAYER AKTIENGESELLSCHAFT (DE) | 1985-11-05 | — | — | US | disclosed |
| US-4162321-A | Sulphur-containing amino-dihydropyridines, and their use as medicants | BAYER AKTIENGESELLSCHAFT (DE) | 1979-07-24 | — | — | US | disclosed |