Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 4/20 | 0.44 |
| ▸ | MAPT | P10636 | 4/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 4/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.41 |
| ▸ | LMNA | P02545 | 2/20 | 0.41 |
| ▸ | GAA | P10253 | 1/20 | 0.41 |
| ▸ | C5AR1 | P21730 | 1/20 | 0.39 |
| ▸ | HPGD | P15428 | 2/20 | 0.39 |
| ▸ | MEN1 | O00255 | 1/20 | 0.39 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.39 |
| ▸ | TSHR | P16473 | 3/20 | 0.38 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | HTT | P42858 | 1/20 | 0.38 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.38 |
| ▸ | MCOLN3 | Q8TDD5 | 1/20 | 0.38 |
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 | |
|---|---|---|---|---|
| SCHEMBL6982999 | 0.90 | ALDH1A1 (0.41) | ALDH1A1MAPTMAPK1NPC1RAB9A | |
| SCHEMBL6977636 | 0.89 | ALDH1A1 (0.42) | ALDH1A1MAPTMAPK1NPC1RAB9A | |
| SCHEMBL6981551 | 0.84 | NR3C1 (0.49) | ALDH1A1MAPTMAPK1LMNAHPGD | |
| SCHEMBL6984843 | 0.80 | GAA (0.43) | ALDH1A1NPC1RAB9AGAAMEN1 | |
| SCHEMBL6979635 | 0.80 | ITGB3 (0.40) | ALDH1A1MAPTSMN1; SMN2LMNAGAA | |
| SCHEMBL6982667 | 0.79 | NR3C1 (0.41) | ALDH1A1LMNAGAAHPGDMEN1 | |
| SCHEMBL6982234 | 0.77 | TP53 (0.41) | ALDH1A1MAPTMAPK1LMNAGAA | |
| SCHEMBL6987767 | 0.76 | TP53 (0.42) | ALDH1A1LMNAGAATP53USP2 | |
| SCHEMBL6986002 | 0.76 | RXRA (0.45) | ALDH1A1MAPTMAPK1NPC1RAB9A | |
| SCHEMBL6986115 | 0.75 | ITGB3 (0.40) | MAPTMAPK1NPC1RAB9ASMN1; SMN2 |
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-0991624-B1 | PHENYLALKYL DERIVATIVES WITH THROMBIN-INHIBITING EFFECT | BOEHRINGER INGELHEIM PHARMA (DE) | 2003-11-19 | — | — | EP | disclosed |