Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.39 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | PDE3B | Q13370 | 2/20 | 0.37 |
| ▸ | PDE3A | Q14432 | 2/20 | 0.37 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.35 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | TSHR | P16473 | 2/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | PDE2A | O00408 | 1/20 | 0.33 |
| ▸ | P2RY12 | Q9H244 | 1/20 | 0.33 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.33 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.33 |
| ▸ | HIF1A | Q16665 | 1/20 | 0.33 |
| ▸ | FKBP1A | P62942 | 2/20 | 0.33 |
| ▸ | LMNA | P02545 | 1/20 | 0.33 |
| ▸ | POLB | P06746 | 1/20 | 0.33 |
| ▸ | HDAC1 | Q13547 | 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 | |
|---|---|---|---|---|
| SCHEMBL6499787 | 0.99 | ALDH1A1 (0.41) | ALDH1A1NFKB1NFKB2RELAPDE3B | |
| SCHEMBL6501399 | 0.99 | NFKB1 (0.39) | ALDH1A1NFKB1NFKB2RELAPDE3B | |
| SCHEMBL6488909 | 0.94 | NFKB1 (0.39) | ALDH1A1NFKB1NFKB2RELAPDE3B | |
| SCHEMBL14095485 | 0.86 | ALDH1A1 (0.41) | ALDH1A1NFKB1NFKB2RELAPDE3B | |
| SCHEMBL20408343 | 0.85 | ALDH1A1 (0.37) | ALDH1A1NFKB1NFKB2RELAPDE3B | |
| SCHEMBL15297743 | 0.85 | GPR119 (0.43) | ALDH1A1KMT2ASMN1; SMN2TSHRMEN1 | |
| SCHEMBL15370101 | 0.84 | NFKB1 (0.40) | ALDH1A1NFKB1NFKB2RELAPDE3B | |
| SCHEMBL6486048 | 0.82 | BTK (0.37) | L3MBTL1 | |
| SCHEMBL15297554 | 0.82 | NR1H2 (0.40) | ALDH1A1NFKB1NFKB2RELAL3MBTL1 | |
| SCHEMBL9200042 | 0.81 | KDM5A (0.38) | ALDH1A1L3MBTL1 |
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-6903107-B1 | Serine protease inhibitor | AKZO NOBEL N.V. (NL) | 2005-06-07 | — | — | US | disclosed |