Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CA1 | P00915 | 2/20 | 0.39 |
| ▸ | CA2 | P00918 | 2/20 | 0.39 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.36 |
| ▸ | LMNA | P02545 | 2/20 | 0.36 |
| ▸ | HIF1A | Q16665 | 2/20 | 0.36 |
| ▸ | GMNN | O75496 | 1/20 | 0.36 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | GABRA1 | P14867 | 1/20 | 0.36 |
| ▸ | TSHR | P16473 | 1/20 | 0.36 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.36 |
| ▸ | THPO | P40225 | 1/20 | 0.36 |
| ▸ | GABRA2 | P47869 | 1/20 | 0.36 |
| ▸ | GABRB2 | P47870 | 1/20 | 0.36 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | SLCO1B3 | Q9NPD5 | 1/20 | 0.36 |
| ▸ | MAOB | P27338 | 2/20 | 0.36 |
| ▸ | HTR2A | P28223 | 2/20 | 0.36 |
| ▸ | IGF1R | P08069 | 1/20 | 0.34 |
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 | |
|---|---|---|---|---|
| SCHEMBL9553137 | 0.93 | MAOB (0.39) | CA1CA2ALDH1A1MAPTTSHR | |
| SCHEMBL11674222 | 0.92 | MAOB (0.39) | CA1CA2ALDH1A1LMNAHIF1A | |
| SCHEMBL28709923 | 0.91 | MAOB (0.40) | ALDH1A1LMNAHIF1AGMNNCYP2D6 | |
| SCHEMBL11202797 | 0.90 | ESR1 (0.40) | CA1CA2ALDH1A1LMNAHIF1A | |
| SCHEMBL30965275 | 0.88 | MAOB (0.44) | CA1CA2ALDH1A1LMNAHIF1A | |
| SCHEMBL12401893 | 0.88 | HTR2A (0.44) | CA1CA2ALDH1A1LMNAHIF1A | |
| SCHEMBL28325082 | 0.86 | ALDH1A1 (0.37) | ALDH1A1LMNAHIF1AGMNNCYP2D6 | |
| SCHEMBL9553378 | 0.83 | MAOB (0.43) | ALDH1A1MAPTTSHRMAOBHSD17B10 | |
| SCHEMBL9192375 | 0.82 | CA2 (0.42) | CA1CA2ALDH1A1LMNAHIF1A | |
| SCHEMBL9135033 | 0.82 | MAOB (0.44) | ALDH1A1LMNAHIF1AGMNNCYP2D6 |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0393534-B1 | Pharmaceutically active pteridine derivatives | ROEHM GMBH (DE) | 1995-07-12 | — | — | EP | disclosed |
| US-5124326-A | Antiarrhythmic, hypotensive agents; diuretics | ROEHM GMBH CHEMISCHE FABRIK (DE) | 1992-06-23 | — | — | US | disclosed |
| EP-0393534-A2 | Pharmaceutically active pteridine derivatives | RÖHM GMBH (DE) | 1990-10-24 | — | — | EP | disclosed |