Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC1 | Q13547 | 1/20 | 0.40 |
| ▸ | HDAC6 | Q9UBN7 | 1/20 | 0.40 |
| ▸ | PKM | P14618 | 1/20 | 0.38 |
| ▸ | GRM5 | P41594 | 4/20 | 0.37 |
| ▸ | SMN1; SMN2 | Q16637 | 3/20 | 0.37 |
| ▸ | HPGD | P15428 | 1/20 | 0.37 |
| ▸ | PTPN11 | Q06124 | 1/20 | 0.37 |
| ▸ | JAK2 | O60674 | 1/20 | 0.37 |
| ▸ | JAK1 | P23458 | 1/20 | 0.37 |
| ▸ | NPC1 | O15118 | 2/20 | 0.36 |
| ▸ | RAB9A | P51151 | 2/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | NR1H2 | P55055 | 1/20 | 0.35 |
| ▸ | GRM3 | Q14832 | 1/20 | 0.35 |
| ▸ | JAK3 | P52333 | 1/20 | 0.35 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.35 |
| ▸ | XBP1 | P17861 | 1/20 | 0.35 |
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 | |
|---|---|---|---|---|
| SCHEMBL23883988 | 0.80 | PKM (0.44) | HDAC1HDAC6PKMGRM5SMN1; SMN2 | |
| SCHEMBL23900037 | 0.80 | PKM (0.44) | HDAC1HDAC6PKMGRM5SMN1; SMN2 | |
| SCHEMBL23899816 | 0.75 | PTPN11 (0.42) | HDAC1HDAC6PKMPTPN11JAK2 | |
| SCHEMBL28516359 | 0.74 | ALDH1A1 (0.52) | GRM5SMN1; SMN2HPGDPTPN11MAPT | |
| SCHEMBL27363769 | 0.74 | ALDH1A1 (0.55) | GRM5SMN1; SMN2HPGDPTPN11NPC1 | |
| SCHEMBL25427135 | 0.74 | HDAC1 (0.42) | HDAC1HDAC6PKMSMN1; SMN2HPGD | |
| SCHEMBL25427129 | 0.74 | HDAC1 (0.42) | HDAC1HDAC6PKMSMN1; SMN2HPGD | |
| SCHEMBL5155331 | 0.74 | MAPT (0.43) | HDAC1HDAC6PKMSMN1; SMN2NPC1 | |
| SCHEMBL27363966 | 0.73 | ALDH1A1 (0.57) | GRM5SMN1; SMN2HPGDPTPN11NPC1 | |
| SCHEMBL31386140 | 0.70 | PKM (0.44) | HDAC1HDAC6PKMSMN1; SMN2HPGD |
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-1961750-B1 | VLA-4 INHIBITORY DRUG | DAIICHI SANKYO CO LTD (JP) | 2013-09-18 | — | — | EP | disclosed |
| EP-1961750-A1 | VLA-4 INHIBITORY DRUG | Daiichi Sankyo Company, Limited (JP) | 2008-08-27 | — | — | EP | disclosed |