Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.49 |
| ▸ | HPGD | P15428 | 1/20 | 0.49 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.49 |
| ▸ | MAPT | P10636 | 1/20 | 0.48 |
| ▸ | SRC | P12931 | 1/20 | 0.43 |
| ▸ | PTGDR2 | Q9Y5Y4 | 1/20 | 0.42 |
| ▸ | TLR4 | O00206 | 2/20 | 0.40 |
| ▸ | TLR2 | O60603 | 2/20 | 0.40 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.38 |
| ▸ | MEN1 | O00255 | 2/20 | 0.38 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.38 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.38 |
| ▸ | HTR2C | P28335 | 3/20 | 0.36 |
| ▸ | MMP2 | P08253 | 1/20 | 0.36 |
| ▸ | MMP9 | P14780 | 1/20 | 0.36 |
| ▸ | LMNA | P02545 | 1/20 | 0.36 |
| ▸ | GAA | P10253 | 1/20 | 0.36 |
| ▸ | RECQL | P46063 | 2/20 | 0.36 |
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 | |
|---|---|---|---|---|
| SCHEMBL7361573 | 1.00 | ALDH1A1 (0.49) | ALDH1A1HPGDHTTSMN1; SMN2MAPT | |
| SCHEMBL29750488 | 0.87 | ALDH1A1 (0.63) | ALDH1A1HPGDHTTSMN1; SMN2MAPT | |
| SCHEMBL636591 | 0.87 | ALDH1A1 (0.63) | ALDH1A1HPGDHTTSMN1; SMN2MAPT | |
| SCHEMBL7358514 | 0.80 | ALDH1A1 (0.54) | ALDH1A1HPGDHTTSMN1; SMN2MAPT | |
| SCHEMBL7358507 | 0.80 | ALDH1A1 (0.54) | ALDH1A1HPGDHTTSMN1; SMN2MAPT | |
| Pyrrole SCHEMBL11894210 | 0.80 | ALDH1A1 (0.54) | ALDH1A1HPGDHTTSMN1; SMN2MAPT | |
| SCHEMBL3851835 | 0.80 | SRC (0.63) | ALDH1A1HPGDHTTSMN1; SMN2MAPT | |
| SCHEMBL9281873 | 0.80 | TLR4 (0.43) | ALDH1A1HPGDHTTSMN1; SMN2MAPT | |
| SCHEMBL7363630 | 0.78 | ALDH1A1 (0.70) | ALDH1A1HPGDHTTSMN1; SMN2MAPT | |
| SCHEMBL15941304 | 0.77 | ALDH1A1 (0.62) | ALDH1A1HPGDHTTSMN1; SMN2MAPT |
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 |
|---|---|---|---|---|---|---|---|
| EP-0740649-A1 | NITROXY GROUP-CONTAINING BENZYLAMINE DERIVATIVES AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES, AS WELL AS INCREASED INTRA-OCULAR PRESSURE | Byk Nederland BV (NL) | 1996-11-06 | — | — | EP | disclosed |
| WO-1995019952-A1 | NITROXY GROUP-CONTAINING BENZYLAMINE DERIVATIVES AND THEIR USE FOR TREATING CARDIOVASCULAR DISEASES, AS WELL AS INCREASED INTRA-OCULAR PRESSURE | BYK NEDERLAND BV (NL) | 1995-07-27 | — | — | WO | disclosed |