Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | SSTR3 | P32745 | 1/20 | 0.58 |
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.52 |
| ▸ | RAB9A | P51151 | 2/20 | 0.52 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.52 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.52 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.52 |
| ▸ | RELA | Q04206 | 1/20 | 0.52 |
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.51 |
| ▸ | GAA | P10253 | 2/20 | 0.51 |
| ▸ | MAPT | P10636 | 2/20 | 0.51 |
| ▸ | MEN1 | O00255 | 2/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.50 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.50 |
| ▸ | KDM4C | Q9H3R0 | 1/20 | 0.50 |
| ▸ | HTT | P42858 | 1/20 | 0.49 |
| ▸ | MGAM | O43451 | 1/20 | 0.49 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.48 |
| ▸ | LMNA | P02545 | 1/20 | 0.48 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.48 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.48 |
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 | |
|---|---|---|---|---|
| SCHEMBL5256700 | 1.00 | SSTR3 (0.58) | SSTR3HDAC8RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL14565583 | 1.00 | SSTR3 (0.58) | SSTR3HDAC8RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL14565584 | 0.84 | ALDH1A1 (0.53) | SSTR3HDAC8RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL5260072 | 0.83 | SMN1; SMN2 (0.53) | RAB9ASMN1; SMN2ALDH1A1NPC1HPGD | |
| SCHEMBL28746033 | 0.83 | SMN1; SMN2 (0.53) | RAB9ASMN1; SMN2ALDH1A1NPC1HPGD | |
| SCHEMBL5256081 | 0.83 | SMN1; SMN2 (0.53) | RAB9ASMN1; SMN2ALDH1A1NPC1HPGD | |
| SCHEMBL5255112 | 0.82 | SSTR3 (0.52) | SSTR3ALDH1A1GAAMAPTMEN1 | |
| SCHEMBL14565670 | 0.81 | SSTR3 (0.51) | SSTR3ALDH1A1GAAMAPTMEN1 | |
| SCHEMBL22449386 | 0.81 | HDAC8 (0.58) | SSTR3HDAC8RAB9ASMN1; SMN2NFKB1 | |
| SCHEMBL3457004 | 0.81 | HDAC8 (0.58) | SSTR3HDAC8RAB9ASMN1; SMN2NFKB1 |
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-1453801-B1 | SUBSTITUTED 2-AMINO-CYCLOALKANECARBOXAMIDES AND THEIR USE AS CYSTEINE PROTEASE INHIBITORS | HOFFMANN LA ROCHE (CH) | 2007-03-21 | — | — | EP | disclosed |