Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.46 |
| ▸ | PKM | P14618 | 2/20 | 0.46 |
| ▸ | MAPT | P10636 | 7/20 | 0.45 |
| ▸ | TDP1 | Q9NUW8 | 2/20 | 0.45 |
| ▸ | THRB | P10828 | 1/20 | 0.45 |
| ▸ | ABCC1 | P33527 | 1/20 | 0.44 |
| ▸ | ABCG2 | Q9UNQ0 | 1/20 | 0.44 |
| ▸ | MEN1 | O00255 | 4/20 | 0.44 |
| ▸ | KMT2A | Q03164 | 4/20 | 0.44 |
| ▸ | TSHR | P16473 | 2/20 | 0.44 |
| ▸ | ACHE | P22303 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.44 |
| ▸ | ADORA1 | P30542 | 1/20 | 0.44 |
| ▸ | MMP2 | P08253 | 1/20 | 0.43 |
| ▸ | MMP9 | P14780 | 1/20 | 0.43 |
| ▸ | MMP8 | P22894 | 1/20 | 0.43 |
| ▸ | MMP13 | P45452 | 1/20 | 0.43 |
| ▸ | RAB9A | P51151 | 4/20 | 0.43 |
| ▸ | NPC1 | O15118 | 3/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 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 | |
|---|---|---|---|---|
| SCHEMBL8544985 | 0.90 | LMNA (0.48) | ALDH1A1PKMMAPTTDP1MEN1 | |
| SCHEMBL8755786 | 0.83 | NPC1 (0.44) | ALDH1A1MAPTTDP1THRBMEN1 | |
| SCHEMBL28114827 | 0.78 | MAPT (0.48) | ALDH1A1MAPTABCC1ABCG2MEN1 | |
| SCHEMBL8545899 | 0.76 | LMNA (0.48) | ALDH1A1PKMMAPTTDP1MEN1 | |
| SCHEMBL9820237 | 0.74 | PDE4D (0.52) | ALDH1A1PKMMAPTTDP1THRB | |
| SCHEMBL6738366 | 0.73 | TSHR (0.76) | ALDH1A1PKMMAPTTDP1MEN1 | |
| SCHEMBL22347698 | 0.73 | RAB9A (0.51) | ALDH1A1MAPTTDP1MEN1KMT2A | |
| SCHEMBL11624700 | 0.73 | ALDH1A1 (0.47) | ALDH1A1MAPTTDP1THRBTSHR | |
| SCHEMBL2569005 | 0.72 | TSHR (0.52) | ALDH1A1MAPTTDP1MEN1KMT2A | |
| SCHEMBL7953461 | 0.72 | TSHR (0.58) | ALDH1A1PKMMAPTTDP1THRB |
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 |
|---|---|---|---|---|---|---|---|
| EP-0088940-A1 | Pyridine-carboxylic-acid esters, process for their preparation and their use as pharmaceutical compositions | BAYER AG (DE) | 1983-09-21 | — | — | EP | disclosed |