Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | TP53 | P04637 | 4/20 | 0.47 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.44 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.44 |
| ▸ | HPGD | P15428 | 1/20 | 0.44 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.44 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.42 |
| ▸ | ACHE | P22303 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | NR3C2 | P08235 | 1/20 | 0.40 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.39 |
| ▸ | NPC1 | O15118 | 1/20 | 0.39 |
| ▸ | LMNA | P02545 | 1/20 | 0.39 |
| ▸ | GAA | P10253 | 1/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 1/20 | 0.39 |
| ▸ | HTT | P42858 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL8096562 | 0.87 | TP53 (0.52) | TP53ACHEMAPTNR3C2 | |
| SCHEMBL8913556 | 0.85 | MEN1 (0.47) | TP53ALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL10894487 | 0.81 | ALDH1A1 (0.48) | TP53ALDH1A1KDM4EHSD17B10HPGD | |
| SCHEMBL8912510 | 0.81 | CACNA1C (0.45) | MAPTNR3C2LMNATSHR | |
| SCHEMBL9236272 | 0.79 | KMT2A (0.39) | TP53ALDH1A1NR3C2NPC1LMNA | |
| SCHEMBL6945482 | 0.77 | CACNA1B (0.48) | ALDH1A1KDM4ENPSR1MAPTSMN1; SMN2 | |
| SCHEMBL8913434 | 0.75 | TP53 (0.53) | TP53TDP1ACHEMAPTSMN1; SMN2 | |
| Imidazole SCHEMBL8914572 | 0.74 | TP53 (0.47) | TP53TDP1ACHEMAPTNR3C2 | |
| SCHEMBL8100065 | 0.74 | TP53 (0.51) | TP53KDM4EHSD17B10ACHEMAPT | |
| SCHEMBL10571402 | 0.73 | NR1I2 (0.67) | TP53ALDH1A1KDM4EHSD17B10HPGD |
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 |
|---|---|---|---|---|---|---|---|
| US-5658934-A | Aryl-substituted alkoxycarbonyl-1,4-dihydropyridine-5-carboxylic acid esters | BAYER AKTIENGESELLSCHAFT (DE) | 1997-08-19 | — | — | US | disclosed |