Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ACHE | P22303 | 1/20 | 0.38 |
| ▸ | RAB9A | P51151 | 3/20 | 0.36 |
| ▸ | ENPP1 | P22413 | 1/20 | 0.35 |
| ▸ | SLC9A1 | P19634 | 1/20 | 0.35 |
| ▸ | ATP4A | P20648 | 2/20 | 0.34 |
| ▸ | ATP4B | P51164 | 2/20 | 0.34 |
| ▸ | NPC1 | O15118 | 2/20 | 0.33 |
| ▸ | MEN1 | O00255 | 2/20 | 0.33 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.33 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.33 |
| ▸ | ADORA1 | P30542 | 2/20 | 0.33 |
| ▸ | MAOB | P27338 | 1/20 | 0.33 |
| ▸ | ENPP3 | O14638 | 1/20 | 0.33 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.33 |
| ▸ | HSD17B10 | Q99714 | 2/20 | 0.33 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.33 |
| ▸ | TP53 | P04637 | 1/20 | 0.33 |
| ▸ | HPGD | P15428 | 1/20 | 0.33 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.33 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.33 |
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 | |
|---|---|---|---|---|
| SCHEMBL9876284 | 0.94 | ADORA1 (0.42) | RAB9AENPP1SLC9A1NPC1ALDH1A1 | |
| SCHEMBL9826546 | 0.78 | RXRA (0.36) | ALDH1A1KDM4ETP53HPGDSMN1; SMN2 | |
| SCHEMBL9824831 | 0.78 | PTGS2 (0.40) | ACHERAB9ANPC1MEN1ALDH1A1 | |
| SCHEMBL9825010 | 0.77 | CYP2A6 (0.41) | RAB9AMEN1ALDH1A1KMT2AHSD17B10 | |
| SCHEMBL24063287 | 0.71 | CYP2A6 (0.48) | ACHERAB9ANPC1MEN1ALDH1A1 | |
| M-Xylene SCHEMBL3470864 | 0.70 | ACHE (0.57) | ACHENPC1ALDH1A1KDM4ETP53 | |
| SCHEMBL4323024 | 0.68 | ENPP1 (0.48) | RAB9AENPP1NPC1ALDH1A1KMT2A | |
| SCHEMBL9825320 | 0.68 | SLC9A1 (0.38) | ACHEENPP1SLC9A1MEN1ALDH1A1 | |
| SCHEMBL838870 | 0.66 | ENPP3 (0.47) | RAB9AENPP1NPC1ALDH1A1MAOB | |
| SCHEMBL30545233 | 0.66 | ENPP3 (0.47) | RAB9AENPP1NPC1ALDH1A1MAOB |
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-0187015-B1 | SQUARILIUM COMPOUND AND LIQUID CRYSTAL COMPOSITION CONTAINING THE SAME | MITSUBISHI KASEI CORPORATION (JP) | 1991-05-29 | — | — | EP | disclosed |