Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.56 |
| ▸ | HPGD | P15428 | 3/20 | 0.56 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.56 |
| ▸ | MAPT | P10636 | 4/20 | 0.46 |
| ▸ | LMNA | P02545 | 4/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.46 |
| ▸ | NPC1 | O15118 | 2/20 | 0.46 |
| ▸ | PDE5A | O76074 | 4/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 4/20 | 0.43 |
| ▸ | CYP3A4 | P08684 | 4/20 | 0.43 |
| ▸ | CYP2D6 | P10635 | 4/20 | 0.43 |
| ▸ | CYP2C19 | P33261 | 4/20 | 0.43 |
| ▸ | MEN1 | O00255 | 3/20 | 0.43 |
| ▸ | KMT2A | Q03164 | 3/20 | 0.43 |
| ▸ | USP2 | O75604 | 3/20 | 0.43 |
| ▸ | TSHR | P16473 | 3/20 | 0.43 |
| ▸ | HSD17B10 | Q99714 | 3/20 | 0.43 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.43 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.43 |
| ▸ | TDP1 | Q9NUW8 | 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 | |
|---|---|---|---|---|
| SCHEMBL5122543 | 0.97 | ALDH1A1 (0.52) | ALDH1A1HPGDSMN1; SMN2MAPTLMNA | |
| SCHEMBL5809020 | 0.94 | ALDH1A1 (0.61) | ALDH1A1HPGDSMN1; SMN2MAPTLMNA | |
| SCHEMBL5814645 | 0.91 | ESR1 (0.46) | ALDH1A1HPGDSMN1; SMN2PDE5AMEN1 | |
| SCHEMBL5118580 | 0.89 | ALDH1A1 (0.55) | ALDH1A1HPGDSMN1; SMN2MAPTLMNA | |
| SCHEMBL5115819 | 0.87 | CLK4 (0.54) | ALDH1A1HPGDSMN1; SMN2MAPTLMNA | |
| SCHEMBL5115035 | 0.87 | ESR1 (0.48) | PDE5AMEN1KMT2AESR1 | |
| SCHEMBL5813077 | 0.85 | ALDH1A1 (0.48) | ALDH1A1HPGDSMN1; SMN2MAPTLMNA | |
| SCHEMBL7170341 | 0.85 | ALDH1A1 (0.48) | ALDH1A1HPGDSMN1; SMN2MAPTLMNA | |
| SCHEMBL7514873 | 0.85 | ALDH1A1 (0.58) | ALDH1A1HPGDSMN1; SMN2MAPTLMNA | |
| SCHEMBL7522368 | 0.85 | ALDH1A1 (0.47) | ALDH1A1HPGDSMN1; SMN2MAPTKDM4E |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998006722-A1 | THIENOPYRIMIDINES | MERCK PATENT GMBH (DE) | 1998-02-19 | — | — | WO | disclosed |